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 | |
|---|---|---|---|---|
| ▸ | SLC6A2 known ✓ | P23975 | 1/20 | 0.47 |
| ▸ | ADRA1A known ✓ | P35348 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.51 |
| ▸ | BLM | P54132 | 2/20 | 0.50 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | RECQL | P46063 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.46 |
| ▸ | FYN | P06241 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27979550 | 0.98 | SMN1; SMN2 (0.53) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| SCHEMBL202327 | 0.81 | BLM (0.72) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| SCHEMBL122295 | 0.81 | BLM (0.72) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| SCHEMBL122296 | 0.81 | BLM (0.72) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL4331797 | 0.79 | BLM (0.70) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| Hydrochloric Acid SCHEMBL22462476 | 0.79 | BLM (0.70) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| Water SCHEMBL11329765 | 0.79 | BLM (0.70) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| Water SCHEMBL11327784 | 0.79 | BLM (0.70) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| SCHEMBL1272429 | 0.73 | SMN1; SMN2 (0.64) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 | |
| SCHEMBL1272430 | 0.73 | SMN1; SMN2 (0.64) | SMN1; SMN2HIF1ABLMSLC6A2TAAR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7893112-B2 | N-(1-cyanocyclopropyl)-4,4-difluoro-2(S)-[2,2,2-trifluoro-1(S)-(4-fluorophenyl)ethylamino)octamide; rheumatoid arthritis, multiple sclerosis, myasthenia gravis, psoriasis, pemphigus vulgaris, Graves' disease, myasthenia gravis, lupus, asthma, pain, atherosclerosis; cathepsins B, K, L, F, and S inhibitors | VIROBAY, INC. (US) | 2011-02-22 | — | — | US | disclosed |
| US-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | VIROBAY, INC. (US) | 2008-11-27 | — | — | US | 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 (1 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-20080293819-A1 | DI-FLUORO CONTAINING COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS | CTSF, CTSZ, CTSS | SLC6A2 3963/4885ADRA1A 4566/4885SMN1; SMN2 4663/4885 |
“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.