Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24769738 | 0.75 | CYP1A2 (0.54) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL727185 | 0.74 | CYP1A2 (0.62) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL6168636 | 0.74 | TAAR1 (0.68) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL31688985 | 0.74 | TAAR1 (0.68) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL8007687 | 0.71 | MMP2 (0.47) | CYP2C19HRH4HRH3MMP2CYP11B1 | |
| SCHEMBL30373538 | 0.69 | CYP11B1 (0.56) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL18459206 | 0.69 | CYP11B1 (0.60) | HRH4HRH3CYP11B1CYP11B2CYP1A2 | |
| SCHEMBL25181727 | 0.69 | CYP11B1 (0.56) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL18459207 | 0.69 | CYP11B1 (0.56) | HRH4HRH3MMP2CYP11B1CYP11B2 | |
| SCHEMBL14257669 | 0.69 | CYP1A2 (0.56) | HRH4HRH3MMP2CYP11B1CYP11B2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6090828-A | ARTHERIOSCLEROSIS | REITZ DAVID B (US) | 2000-07-18 | — | — | US | disclosed |
| US-5451593-A | Method of using 5-arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of a glaucoma disorder | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5451591-A | Method of using 5-arylheteroarylalkyl-1,3 5-trisubstituted-1,24-triazole compounds for treatment of circulatory disorders | G. D. SEARLE & CO. (US) | 1995-09-19 | — | — | US | disclosed |
| US-5196537-A | Angiotensin/II/ antagonists; hypotensive agents | G. D. SEARLE & CO. (US) | 1993-03-23 | — | — | US | disclosed |
| WO-1992016523-A1 | 5-ARYLHETEROARYLALKYL-1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS | G.D. SEARLE & CO. (US) | 1992-10-01 | — | — | WO | disclosed |
| EP-0504888-A1 | 5-Arylheteroarylalkyl-1,3,5-trisubstituted-1,2,4-triazole compounds for treatment of circulatory disorders | G.D. Searle & Co. (US) | 1992-09-23 | — | — | EP | disclosed |