Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2646328 | 0.88 | CYP19A1 (0.49) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL1180536 | 0.88 | CYP3A4 (0.38) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL9171223 | 0.85 | CYP3A4 (0.59) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL29851135 | 0.82 | L3MBTL1 (0.49) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL154603 | 0.82 | L3MBTL1 (0.49) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28083685 | 0.81 | MKNK1 (0.35) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL4317264 | 0.75 | L3MBTL1 (0.41) | CYP3A4CYP19A1CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL12502235 | 0.74 | CHRNB2 (0.33) | — | |
| SCHEMBL28083647 | 0.74 | CA2 (0.43) | CYP11B2 | |
| SCHEMBL5733424 | 0.73 | HCAR2 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11815475-B2 | Method for identifying molecular structure | THE UNIVERSITY OF TOKYO (JP) | 2023-11-14 | — | — | US | disclosed |
| EP-3591387-B1 | METHOD FOR IDENTIFYING MOLECULAR STRUCTURE | UNIV TOKYO (JP) | 2023-09-27 | — | — | EP | disclosed |
| US-20200096461-A1 | METHOD FOR IDENTIFYING MOLECULAR STRUCTURE | THE UNIVERSITY OF TOKYO (JP) | 2020-03-26 | — | — | US | disclosed |