Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8946090 | 0.77 | ALOX5 (0.39) | ALOX5OPRK1KDM4EALDH1A1HPGD | |
| SCHEMBL8946012 | 0.73 | CYP2C19 (0.41) | OPRK1KDM4EALDH1A1ESR1KCNH2 | |
| SCHEMBL8945765 | 0.70 | CYP3A4 (0.33) | ALOX5KCNH2 | |
| SCHEMBL9583320 | 0.70 | TNF (0.41) | OPRK1KDM4EALDH1A1HPGD | |
| SCHEMBL8946088 | 0.66 | ALOX5 (0.41) | ALOX5OPRK1KDM4EALDH1A1HPGD | |
| SCHEMBL8760175 | 0.65 | OPRK1 (0.39) | ALOX5OPRK1 | |
| Hydrochloric Acid SCHEMBL8760208 | 0.64 | OPRK1 (0.38) | ALOX5OPRK1 | |
| Acetic Acid SCHEMBL2534772 | 0.64 | ALPI (0.44) | OPRK1KDM4EALDH1A1HPGD | |
| SCHEMBL5703686 | 0.64 | ESR1 (0.39) | KDM4EALDH1A1HPGDESR1KCNH2 | |
| SCHEMBL9488982 | 0.61 | ALOX5 (0.65) | ALOX5 |
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-5510346-A | ANTIDEPRESSANTS, ANTIANXIETY AGENTS | HOECHST MARION ROUSSEL, INC. (US) | 1996-04-23 | — | — | US | disclosed |
| US-5292760-A | 4-heteroaryl-1,3-benzodiazepines and 2-substituted-α-(heteroaryl)benzeneethanamines | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1994-03-08 | — | — | US | disclosed |