Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9201132 | 0.89 | HSP90AA1 (0.38) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL9198981 | 0.89 | CYP3A4 (0.40) | CYP3A4THRBHSP90AA1NPSR1CYP2C9 | |
| SCHEMBL9196212 | 0.88 | GAA (0.46) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL9201247 | 0.86 | ALDH1A1 (0.46) | CYP3A4THRBHSP90AA1NPSR1KMT2A | |
| SCHEMBL9199842 | 0.84 | CYP3A4 (0.57) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL9314674 | 0.84 | CYP3A4 (0.44) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL9005028 | 0.81 | CYP3A4 (0.46) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL8813231 | 0.81 | CYP3A4 (0.46) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL8813224 | 0.81 | CYP3A4 (0.46) | CYP3A4THRBKDM4EHTTHSP90AA1 | |
| SCHEMBL11543476 | 0.80 | CYP3A4 (0.51) | CYP3A4THRBKDM4EHTTHSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0431968-B1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | SANKYO CO (JP) | 1995-03-15 | — | — | EP | disclosed |
| US-5134152-A | 1,2,4-Triazole compounds | SANKYO COMPANY, LIMITED (JP) | 1992-07-28 | — | — | US | disclosed |
| EP-0431968-A1 | Oxetane derivatives, their preparation and their use as anti-fungal or fungicidal agents | Sankyo Company Limited (JP) | 1991-06-12 | — | — | EP | disclosed |