Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 8/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 7/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | USP2 | O75604 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | CNOT7 | Q9UIV1 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 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 | |
|---|---|---|---|---|
| SCHEMBL28212561 | 0.91 | CYP1A2 (0.47) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL4723968 | 0.84 | NOS1 (0.41) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL4723966 | 0.81 | CYP1A2 (0.43) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL25818492 | 0.75 | MKNK2 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL2173797 | 0.75 | MKNK2 (0.40) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 | |
| SCHEMBL13195335 | 0.75 | MKNK2 (0.40) | CYP1A2ADORA2A | |
| SCHEMBL15833488 | 0.73 | MAPK13 (0.39) | ALDH1A1SIGMAR1KDM4E | |
| SCHEMBL15833690 | 0.73 | MTNR1A (0.36) | ALDH1A1 | |
| SCHEMBL24110604 | 0.72 | HTR2C (0.47) | — | |
| SCHEMBL5068124 | 0.72 | MKNK2 (0.42) | CYP1A2CYP2C19CYP3A4CYP2C9ALDH1A1 |
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-108137497-A | Bicyclic derivatives, process for their preparation and pharmaceutical compositions containing them | 法国施维雅药厂 | 2018-06-08 | — | — | CN | disclosed |