Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 9/20 | 0.50 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 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 | |
|---|---|---|---|---|
| SCHEMBL5597110 | 0.80 | CYP2A6 (0.47) | CYP2A6NPY5RCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL5597112 | 0.78 | CYP2A6 (0.45) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL22471745 | 0.78 | CYP2A6 (0.46) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL3752648 | 0.76 | KDM4E (0.61) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL21742497 | 0.73 | KDM4E (0.58) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL13765089 | 0.72 | KDM4E (0.54) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL10205407 | 0.71 | CYP2A6 (0.56) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 | |
| SCHEMBL20541087 | 0.70 | CYP2A6 (0.70) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL30026143 | 0.70 | CYP2A6 (0.70) | CYP2A6CYP3A4CYP2E1CYP2D6CYP2C9 | |
| SCHEMBL18378751 | 0.70 | CYP2A6 (0.56) | CYP2A6NPY5RCYP3A4CYP2E1CYP2D6 |
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 |