Known targets — ChEMBL curated mechanism
ACHEADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3APH1AAPH1BCHRM2CHRM3EZH2GRIN2AHTR1AHTR1BHTR1DHTR1FHTR3ANCSTNP2RY12PSEN1PSEN2PSENENSIGMAR1SLC6A2SLC6A3SLC6A4
The experimentally established mechanism targets of Bromide. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.55 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | CSNK2A1 | P68400 | 6/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | IGF1R | P08069 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | PNMT | P11086 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.42 |
| ▸ | DBH | P09172 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6635358 | 0.98 | CA2 (0.57) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2942246 | 0.96 | CA2 (0.55) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| Bromide SCHEMBL1468106 | 0.83 | TAAR1 (0.64) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL1466961 | 0.81 | TAAR1 (0.67) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL13343744 | 0.80 | TDP1 (0.50) | HSD17B10CYP3A4CYP2D6CSNK2A1TSHR | |
| SCHEMBL71042 | 0.79 | HSD17B10 (0.63) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| SCHEMBL9773533 | 0.79 | CA2 (0.61) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| Bromide SCHEMBL20553882 | 0.79 | KDM4E (0.64) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| Bromide SCHEMBL210866 | 0.79 | KDM4E (0.64) | CA2CA1HSD17B10CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2386540 | 0.79 | MAPK1 (0.68) | CA2CA1HSD17B10CYP2D6TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9868743-B2 | Macrocyclic molecules as HCV entry inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-01-16 | — | — | US | disclosed |
| EP-2953953-B1 | MACROCYCLIC MOLECULES AS HCV ENTRY INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-11-15 | — | — | EP | disclosed |
| US-9422311-B2 | Compounds for the treatment of hepatitis C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-08-23 | — | — | US | disclosed |
| US-20150368251-A1 | MACROCYCLIC MOLECULES AS HCV ENTRY INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2015-12-24 | — | — | US | disclosed |
| EP-2953953-A1 | MACROCYCLIC MOLECULES AS HCV ENTRY INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-12-16 | — | — | EP | disclosed |
| EP-2937335-A1 | HETEROCYCLIC AMIDE DERIVATIVE, AND MEDICINE CONTAINING SAME | Ajinomoto Co., Inc. (JP) | 2015-10-28 | — | — | EP | disclosed |
| US-20150284375-A1 | HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME | AJINOMOTO CO., INC. (JP) | 2015-10-08 | — | — | US | disclosed |
| US-20150274753-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY | 2015-10-01 | — | — | US | disclosed |
| EP-2917222-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | Bristol-Myers Squibb Company (US) | 2015-09-16 | — | — | EP | disclosed |
| WO-2014123892-A1 | MACROCYCLIC MOLECULES AS HCV ENTRY INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-08-14 | — | — | WO | disclosed |
| WO-2014062636-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-04-24 | — | — | WO | disclosed |
| US-8268822-B2 | 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2012-09-18 | — | — | US | disclosed |
| US-20110071134-A1 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-03-24 | — | — | US | disclosed |
| US-7732444-B2 | 2-(amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2010-06-08 | — | — | US | disclosed |
| EP-2123647-A1 | 2-(amino-substituted)-4-phenyl pyrimidines useful for treating inflammatory diseases | Millennium Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| EP-1701944-B1 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| EP-1701944-A2 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2006-09-20 | — | — | EP | disclosed |
| US-20060040968-A1 | 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases | MILLENNIUM PHARMACEUTICALS, INC. | 2006-02-23 | — | — | US | disclosed |
| WO-2005066139-A2 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2005-07-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150284375-A1 | HETEROCYCLIC AMIDE DERIVATIVE AND MEDICINE CONTAINING SAME | TRPA1, TRPV1, TRPV2 | CA2 772/4885CA1 2305/4885HSD17B10 2771/4885 |
| US-20110071134-A1 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRIMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | PRKCZ, PRKCQ, PRKCE | CA2 2618/4885CA1 4332/4885HSD17B10 3339/4885 |
| US-20060040968-A1 | 2-(Amino-substituted)-4-aryl pyrimidines and related compounds useful for treating inflammatory diseases | PRKCZ, PRKCQ, PRKCE | CA2 2618/4885CA1 4332/4885HSD17B10 3339/4885 |
| US-20150368251-A1 | MACROCYCLIC MOLECULES AS HCV ENTRY INHIBITORS | HAVCR2, SLC10A1, NPC1 | CA2 3963/4885CA1 4360/4885HSD17B10 1367/4885 |
| US-20150274753-A1 | COMPOUNDS FOR THE TREATMENT OF HEPATITIS C | HAVCR2, SLC10A1, HCCS | CA2 4355/4885CA1 4446/4885HSD17B10 638/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.