Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PRF1 | P14222 | 2/20 | 0.41 |
| ▸ | KMO | O15229 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.36 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.36 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30541282 | 0.79 | HSD17B1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL20546563 | 0.79 | HSD17B1 (0.45) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL28105602 | 0.76 | KMO (0.50) | KMOGABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL526386 | 0.76 | CYP2E1 (0.55) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL8801892 | 0.74 | KMO (0.49) | KMOHDAC1HDAC6HDAC2HDAC11 | |
| SCHEMBL526393 | 0.72 | GCGR (0.37) | PRF1KMOMAPTHDAC4HDAC1 | |
| SCHEMBL16242291 | 0.71 | KMO (0.47) | KMOGABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL19072696 | 0.71 | KMO (0.54) | KMOGABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL29445848 | 0.71 | KMO (0.54) | KMOGABRG2GABRB3GABRA3GABRA5 | |
| SCHEMBL20860616 | 0.71 | CYP2E1 (0.51) | CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6 |
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-2012013719-A1 | NEW CYCLOMETALATED COMPLEXES FOR SOLAR CELLS | UNIVERSITA' DEGLI STUDI DI MILANO BICOCCA (IT) | 2012-02-02 | — | — | WO | disclosed |