Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | CKS1B | P61024 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5597112 | 0.88 | CYP2A6 (0.45) | CYP2A6CYP3A4NPC1RAB9ACYP2E1 | |
| SCHEMBL5597110 | 0.88 | CYP2A6 (0.47) | CYP2A6CYP3A4NPC1RAB9ACYP2D6 | |
| SCHEMBL22471744 | 0.78 | CYP2A6 (0.50) | CYP2A6CYP3A4NPC1RAB9ACYP2E1 | |
| SCHEMBL9623856 | 0.76 | ALDH1A1 (0.42) | CYP2A6CYP3A4NPC1RAB9APTGS2 | |
| SCHEMBL28610467 | 0.76 | KDM4E (0.48) | CYP2A6CYP3A4PTGS2ALDH1A1KDM4E | |
| SCHEMBL10205407 | 0.72 | CYP2A6 (0.56) | CYP2A6CYP3A4CKS1BSKP2CYP2E1 | |
| SCHEMBL9624228 | 0.71 | HSD11B1 (0.40) | NPC1RAB9AALDH1A1SMN1; SMN2NFKB1 | |
| Toluene SCHEMBL28031482 | 0.71 | CYP2A6 (0.60) | CYP2A6CYP3A4NPC1RAB9ACYP2E1 | |
| SCHEMBL260412 | 0.69 | CYP2A6 (0.68) | CYP2A6CYP3A4NPC1RAB9ACYP2D6 | |
| SCHEMBL4582701 | 0.69 | CYP2A6 (0.68) | CYP2A6CYP3A4NPC1RAB9ACYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113557227-A | Method for producing prostaglandin | 协和医药化工股份有限公司 | 2021-10-26 | — | — | CN | disclosed |
| WO-2020195437-A1 | METHOD FOR PRODUCING PKROSTAGLANDIN | 協和ファーマケミカル株式会社 | 2020-10-01 | — | — | WO | disclosed |