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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 known ✓ | P08172 | 4/20 | 0.55 |
| ▸ | SIGMAR1 known ✓ | Q99720 | 1/20 | 0.50 |
| ▸ | GRIN2A known ✓ | Q12879 | 3/20 | 0.48 |
| ▸ | ACHE known ✓ | P22303 | 2/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | CA7 | P43166 | 2/20 | 0.55 |
| ▸ | CA9 | Q16790 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.55 |
| ▸ | CA4 | P22748 | 1/20 | 0.55 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.48 |
| ▸ | BCHE | P06276 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL27583392 | 0.98 | IDO1 (0.59) | IDO1TAAR1CHRM2CHRM1CA1 | |
| Hydrochloric Acid SCHEMBL1014030 | 0.95 | IDO1 (0.61) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL28858018 | 0.80 | TAAR1 (0.75) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL3296809 | 0.80 | IDO1 (0.61) | IDO1TAAR1CHRM2CHRM1CA1 | |
| Bromide SCHEMBL28225208 | 0.79 | IDO1 (0.50) | IDO1TAAR1CHRM2CHRM1ALDH1A1 | |
| SCHEMBL17939 | 0.78 | IDO1 (0.59) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL26654 | 0.76 | IDO1 (0.69) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL4615134 | 0.76 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL43208 | 0.76 | IDO1 (0.61) | IDO1TAAR1CHRM2CHRM1CA1 | |
| SCHEMBL105847 | 0.76 | IDO1 (0.57) | IDO1TAAR1CHRM2CHRM1CA1 |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8859546-B2 | Picolinamide inhibitors of kinases | ABBVIE INC. (US) | 2014-10-14 | — | — | US | disclosed |
| EP-2665711-A1 | PICOLINAMIDE INHIBITORS OF KINASES | Abbvie Inc. (US) | 2013-11-27 | — | — | EP | disclosed |
| CN-103380117-A | Picolinamide inhibitors of kinases | ABBOTT LAB | 2013-10-30 | — | — | CN | disclosed |
| WO-2012100135-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | WO | disclosed |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ABBOTT LABORATORIES (US) | 2012-07-26 | — | — | US | disclosed |
| CN-102245613-A | Phenyl and heteroaryl substituted thieno[2, 3-d] pyrimidines and their use as adenosine A2a receptor antagonists | JANSSEN PHARMACEUTICA NV | 2011-11-16 | — | — | CN | disclosed |
| WO-2010045009-A1 | PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d] PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA NV (BE) | 2010-04-22 | — | — | WO | disclosed |
| US-20100093721-A1 | PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2010-04-15 | — | — | US | disclosed |
| EP-2044061-A2 | BENZOTHIOPHENE INHIBITORS OF RHO KINASE | Kahraman, Mehmet (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008011560-A2 | BENZOTHIOPHENE INHIBITORS OF RHO KINASE | KAHRAMAN MEHMET (US) | 2008-01-24 | — | — | WO | disclosed |
| US-20080009478-A1 | Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases | ARENA PHARMACEUTICALS, INC. (US) | 2008-01-10 | — | — | US | disclosed |
| WO-2005042491-A1 | BENZAZEPINE DERIVATIVES AND METHODS OF PROPHYLAXIS OR TREATMENT OF 5HT2C RECEPTOR ASSOCIATED DISEASES | ARENA PHARMACEUTICALS, INC. (US) | 2005-05-12 | — | — | 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 (3 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-20080009478-A1 | Benzazepine Derivatives and Methods of Prophylaxis or Treatment of 5Ht2c Receptor Associated Diseases | HTR2C, HTR2A, HTR2B | CHRM2 631/4885SIGMAR1 272/4885GRIN2A 34/4885 |
| US-20120190681-A1 | PICOLINAMIDE INHIBITORS OF KINASES | ALK, PKN2, ERBB2 | CHRM2 3092/4885SIGMAR1 2418/4885GRIN2A 1118/4885 |
| US-20100093721-A1 | PHENYL AND HETEROARYL SUBSTITUTED THIENO[2,3-d]PYRIMIDINES AND THEIR USE AS ADENOSINE A2a RECEPTOR ANTAGONISTS | ADORA2A, ADORA3, ADORA2B | CHRM2 83/4885SIGMAR1 611/4885GRIN2A 123/4885 |
“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.