Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MMP2 | P08253 | 4/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.47 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 3/20 | 0.45 |
| ▸ | MMP1 | P03956 | 2/20 | 0.45 |
| ▸ | MMP9 | P14780 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | MMP3 | P08254 | 2/20 | 0.45 |
| ▸ | MMP7 | P09237 | 1/20 | 0.45 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL21151495 | 0.83 | SMN1; SMN2 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL10404338 | 0.83 | CA2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL9810981 | 0.83 | CA2 (0.56) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL945862 | 0.79 | SMN1; SMN2 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6006454 | 0.78 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL11512348 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL4714253 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6006659 | 0.78 | SMN1; SMN2 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL6004978 | 0.77 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL13335272 | 0.76 | SMN1; SMN2 (0.54) | ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001027096-A9 | AMINOMETHYL-(HETERO)ARYL DERIVATIVES AND THEIR USE AS TRYPTASE INHIBITORS | PROTHERICS MOLECULAR DESIGN LT (GB) | 2001-07-12 | — | — | WO | disclosed |