Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | MMP14 | P50281 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | AURKA | O14965 | 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 | |
|---|---|---|---|---|
| SCHEMBL11826299 | 0.86 | ALDH1A1 (0.45) | ALDH1A1TDP1CYP1A2MMP2MMP9 | |
| SCHEMBL11829509 | 0.86 | ALDH1A1 (0.53) | ALDH1A1TDP1ADAMTS4CYP1A2MMP2 | |
| SCHEMBL11828895 | 0.79 | TSHR (0.51) | TDP1CYP1A2MMP2MMP9MMP12 | |
| SCHEMBL11757662 | 0.78 | ALDH1A1 (0.57) | ALDH1A1TDP1ADAMTS4CYP1A2RAB9A | |
| SCHEMBL11829462 | 0.78 | MMP12 (0.47) | ALDH1A1MMP2MMP9MMP12MMP13 | |
| SCHEMBL11823728 | 0.78 | MAOB (0.54) | MMP2MMP9MMP12MMP13MMP14 | |
| SCHEMBL11832398 | 0.78 | PPARA (0.51) | MMP2MMP9MMP12MMP13MMP14 | |
| SCHEMBL2561037 | 0.77 | TSHR (0.56) | ALDH1A1TDP1CYP1A2CYP2C19RAB9A | |
| SCHEMBL11824795 | 0.77 | ADAMTS4 (0.52) | ALDH1A1TDP1ADAMTS4CYP1A2KMT2A | |
| SCHEMBL11835910 | 0.77 | ADAMTS4 (0.55) | ALDH1A1TDP1ADAMTS4CYP1A2CYP3A4 |
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-3966801-A | ANTIINFLAMMATORY AGENTS | WILLIAM H. RORER, INC. (US) | 1976-06-29 | — | — | US | disclosed |