Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.34 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.34 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.34 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9987869 | 0.81 | MEN1 (0.39) | TRPV1ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL9986802 | 0.80 | MAPK13 (0.38) | CYP1A2TRPV1ALDH1A1KDM4EMEN1 | |
| SCHEMBL28805555 | 0.77 | TRPV1 (0.36) | CYP1A2TRPV1ALDH1A1KDM4EMEN1 | |
| SCHEMBL14867706 | 0.70 | — | — | |
| SCHEMBL28909321 | 0.69 | TDP1 (0.45) | CYP1A2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL16119496 | 0.69 | CYP1A2 (0.47) | CYP1A2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL9987868 | 0.68 | MAPK13 (0.39) | CYP1A2TRPV1ALDH1A1KDM4EMEN1 | |
| SCHEMBL28046049 | 0.67 | CYP1A2 (0.44) | CYP1A2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL27841207 | 0.66 | TDP1 (0.46) | CYP1A2ALDH1A1MEN1KMT2ATDP1 | |
| SCHEMBL31443372 | 0.65 | KMO (0.31) | — |
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-103080107-A | Heteroaryl compounds and compositions as protein kinase inhibitors | NOVARTIS AG | 2013-05-01 | — | — | CN | disclosed |