Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | RARA | P10276 | 2/20 | 0.48 |
| ▸ | RARB | P10826 | 2/20 | 0.48 |
| ▸ | RARG | P13631 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | PLA2G2D | Q9UNK4 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.47 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9132226 | 1.00 | PLA2G4B (0.51) | PLA2G4BTSHRCA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL9130554 | 0.99 | PLA2G4B (0.50) | PLA2G4BTSHRCA12CA1CA2 | |
| SCHEMBL7792653 | 0.99 | TSHR (0.50) | PLA2G4BTSHRCA12CA1CA2 | |
| SCHEMBL981508 | 0.89 | RARB (0.67) | PLA2G4BTSHRRARARARBRARG | |
| SCHEMBL9492347 | 0.89 | PLA2G4B (0.47) | PLA2G4BTSHRRARARARBRARG | |
| SCHEMBL9485696 | 0.88 | CNR2 (0.48) | TSHRSMPD1TP53CNR1CNR2 | |
| SCHEMBL9485704 | 0.88 | MAPK1 (0.50) | TSHRSMPD1TP53CNR1CNR2 | |
| SCHEMBL9130548 | 0.88 | CNR2 (0.46) | PLA2G4BTSHRSMPD1TP53CNR1 | |
| SCHEMBL9135473 | 0.88 | PLA2G4B (0.44) | PLA2G4BTSHRCA12CA1CA2 | |
| SCHEMBL9491314 | 0.88 | MAPT (0.46) | PLA2G4BTSHRRARARARBRARG |
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-6017919-A | Compounds and pharmaceutical use thereof | JAPAN TOBACCO INC. (JP) | 2000-01-25 | — | — | US | disclosed |
| EP-0887340-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 1998-12-30 | — | — | EP | disclosed |