Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1H | O95180 | 1/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | USP2 | O75604 | 3/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28137409 | 0.87 | KMT2A (0.55) | EPHX2CYP3A4ALDH1A1CYP2D6USP2 | |
| SCHEMBL28137988 | 0.84 | ALDH1A1 (0.65) | CYP3A4ALDH1A1CYP2D6USP2CYP2C19 | |
| SCHEMBL23499184 | 0.82 | CACNA1H (0.53) | CACNA1HMAPTCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL4560251 | 0.76 | MAPT (0.70) | MAPTALDH1A1 | |
| SCHEMBL23499173 | 0.76 | CACNA1H (0.51) | CACNA1HEPHX2MAPTALDH1A1CYP2D6 | |
| SCHEMBL24946098 | 0.75 | CACNA1H (0.53) | CACNA1HMAPTCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL25091436 | 0.72 | CACNA1H (0.55) | CACNA1HEPHX2MAPTALDH1A1CYP2D6 | |
| SCHEMBL2404352 | 0.72 | POLB (0.59) | CACNA1HMAPTCYP3A4ALDH1A1CYP2D6 | |
| SCHEMBL30916891 | 0.72 | KDM4E (0.60) | CACNA1HMAPTALDH1A1KDM4EGLA | |
| SCHEMBL13450573 | 0.70 | LMNA (0.69) | CACNA1HEPHX2MAPTALDH1A1CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104169258-B | novel heterocyclic carboxamides as modulators of kinase activity | 默克专利有限公司 | 2017-03-01 | — | — | CN | disclosed |