Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.36 |
| ▸ | FDPS | P14324 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9788445 | 0.83 | CYP3A4 (0.35) | CYP3A4ALDH1A1HSP90AA1FDPSAR | |
| SCHEMBL9788443 | 0.83 | CYP3A4 (0.35) | CYP3A4ALDH1A1HSP90AA1FDPSAR | |
| SCHEMBL9788436 | 0.78 | ALDH1A1 (0.55) | CYP3A4ALDH1A1HSP90AA1FDPSKMT2A | |
| SCHEMBL9788434 | 0.78 | ALDH1A1 (0.55) | CYP3A4ALDH1A1HSP90AA1FDPSKMT2A | |
| SCHEMBL9788444 | 0.74 | ALDH1A1 (0.46) | CYP3A4ALDH1A1HSP90AA1LMNAKMT2A | |
| SCHEMBL9788442 | 0.74 | ALDH1A1 (0.46) | CYP3A4ALDH1A1HSP90AA1LMNAKMT2A | |
| SCHEMBL9788435 | 0.70 | FDPS (0.50) | CYP3A4ALDH1A1HSP90AA1FDPSAR | |
| SCHEMBL9369161 | 0.67 | FDPS (0.43) | CYP3A4ALDH1A1HSP90AA1FDPSAR | |
| SCHEMBL9369155 | 0.67 | FDPS (0.43) | CYP3A4ALDH1A1HSP90AA1FDPSAR | |
| SCHEMBL9369185 | 0.66 | CYP3A4 (0.44) | CYP3A4ALDH1A1HSP90AA1FDPSAR |
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 |
|---|---|---|---|---|---|---|---|
| US-5041459-A | Plant diseases; protection of industrial materials | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | claimed |