Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8896050 | 0.86 | TNKS2 (0.38) | TNKS2CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9684891 | 0.77 | TNKS2 (0.39) | TNKS2CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9684884 | 0.77 | TNKS2 (0.39) | TNKS2CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL9027978 | 0.75 | NAT1 (0.56) | — | |
| SCHEMBL8894717 | 0.75 | NAT1 (0.56) | — | |
| SCHEMBL8894724 | 0.68 | PTGS2 (0.45) | CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL8532254 | 0.67 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8532250 | 0.67 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL8991927 | 0.67 | PTGS2 (0.45) | CYP1A2CYP2C9ALDH1A1 | |
| SCHEMBL8894493 | 0.67 | PTGS2 (0.45) | CYP1A2CYP2C9ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691367-A | ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS | ELI LILLY AND COMPANY (US) | 1997-11-25 | — | — | US | disclosed |
| EP-0391644-B1 | Aryl-substituted rhodanine derivatives | LILLY CO ELI (US) | 1996-06-19 | — | — | EP | disclosed |
| US-5356917-A | Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals | ELI LILLY AND COMPANY (US) | 1994-10-18 | — | — | US | disclosed |
| EP-0391644-A2 | Aryl-substituted rhodanine derivatives | ELI LILLY AND COMPANY (US) | 1990-10-10 | — | — | EP | disclosed |