Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.60 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MLNR | O43193 | 1/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | CCKBR | P32239 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11532244 | 0.91 | CYP19A1 (0.66) | CYP19A1HSP90AA1CYP3A4LMNACYP11B1 | |
| SCHEMBL11530495 | 0.90 | CYP19A1 (0.49) | CYP19A1CYP17A1KMT2AHSP90AA1CYP3A4 | |
| SCHEMBL11534213 | 0.88 | CYP19A1 (0.47) | CYP19A1CYP17A1KMT2AHSP90AA1CYP3A4 | |
| SCHEMBL11533323 | 0.86 | CYP19A1 (0.60) | CYP19A1KMT2AHSP90AA1CYP3A4LMNA | |
| SCHEMBL11532087 | 0.83 | CYP19A1 (0.58) | CYP19A1HSP90AA1CYP3A4LMNA | |
| SCHEMBL11533590 | 0.82 | CYP19A1 (0.51) | CYP19A1HSP90AA1CYP3A4LMNACYP2C9 | |
| SCHEMBL11533125 | 0.81 | CYP19A1 (0.57) | CYP19A1CYP17A1KMT2AHSP90AA1CYP3A4 | |
| SCHEMBL11536380 | 0.81 | CYP19A1 (0.54) | CYP19A1HSP90AA1CYP3A4KCNH2LMNA | |
| SCHEMBL11531310 | 0.79 | CYP19A1 (0.49) | CYP19A1KMT2AHSP90AA1CYP3A4LMNA | |
| SCHEMBL11533728 | 0.79 | CYP19A1 (0.38) | CYP19A1CYP17A1KMT2AHSP90AA1CYP3A4 |
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-4140782-A | Combating fungi and nematodes with diphenyl-triazolyl-methanes | BAYER AKTIENGESELLSCHAFT (DE) | 1979-02-20 | — | — | US | disclosed |