Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 8/20 | 0.43 |
| ▸ | SDHB | P21912 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8918086 | 0.91 | PTGS2 (0.48) | PTGS2MAPK8PTGS1 | |
| SCHEMBL8917700 | 0.90 | CYP1A2 (0.47) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8917535 | 0.84 | LCK (0.40) | PTGS2SDHBALDH1A1LCKKDM4E | |
| SCHEMBL8917496 | 0.83 | PTGS2 (0.49) | CYP1A2CYP2D6GRIA2PTGS2PTGS1 | |
| SCHEMBL8918841 | 0.83 | PTGS2 (0.48) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8917761 | 0.83 | PTGS2 (0.53) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8919647 | 0.82 | CYP1A2 (0.46) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8917853 | 0.82 | PTGS2 (0.52) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8916635 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 | |
| SCHEMBL8917438 | 0.81 | CYP1A2 (0.48) | CYP1A2CYP2D6GRIA2PTGS2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5696143-A | ARTHRITIS THERAPY | G.D. SEARLE & CO. | 1997-12-09 | — | — | US | disclosed |