Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 2/20 | 0.38 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL31047649 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL18791346 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL1396867 | 0.83 | CHEK1 (0.48) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL12930800 | 0.80 | GABRP (0.40) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL2749744 | 0.80 | CYP1A2 (0.43) | CYP1A2CYP2A6NOS1CHEK1KDM4E | |
| SCHEMBL30983134 | 0.80 | GABRP (0.40) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL558996 | 0.80 | PDPK1 (0.53) | CYP1A2CYP2A6CHEK1FGFR1SRC | |
| SCHEMBL11813543 | 0.80 | MAPT (0.47) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL18379303 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2A6GABRPGABRDGABRA1 | |
| SCHEMBL13520217 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6NOS1CHEK1KDM4E |
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-118290334-A | Preparation method of Lifeiste key intermediate | 上海医药工业研究院有限公司 | 2024-07-05 | — | — | CN | disclosed |