Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 4/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17513224 | 0.84 | CYP2D6 (0.39) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL18022514 | 0.80 | LRRK2 (0.35) | MAPK1CYP3A4CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL14280023 | 0.80 | CYP2D6 (0.56) | MAPK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL18022515 | 0.80 | CYP2D6 (0.56) | MAPK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL12518845 | 0.80 | CYP2D6 (0.56) | MAPK1CYP3A4CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3696691 | 0.79 | ALDH1A1 (0.43) | CYP3A4CYP1A2CYP2D6ALDH1A1TSHR | |
| SCHEMBL2475044 | 0.78 | KMT2A (0.56) | CYP3A4CYP1A2CYP2D6ALDH1A1TSHR | |
| SCHEMBL20536090 | 0.76 | CYP2D6 (0.54) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL6184552 | 0.75 | CYP2D6 (0.42) | CYP3A4CYP2C19CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13724996 | 0.75 | MAPK1 (0.47) | MAPK1CYP3A4CYP2C19CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| JP-11209345-A | — | — | None | — | — | JP | disclosed |
| JP-H11209345-A | PRODUCTION OF INTERMEDIATE FOR DRUG | ONO PHARMACEUT CO LTD | 1999-08-03 | — | — | JP | disclosed |