Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.47 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.39 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.39 |
| ▸ | CYP3A7 | P24462 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP3A43 | Q9HB55 | 1/20 | 0.39 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9788463 | 1.00 | KMT2A (0.49) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL1284634 | 0.89 | CYP3A4 (0.43) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL1284632 | 0.89 | CYP3A4 (0.43) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL9443025 | 0.88 | ALDH1A1 (0.56) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL9443020 | 0.88 | ALDH1A1 (0.56) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL9443155 | 0.88 | ALDH1A1 (0.56) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10744398 | 0.82 | ALDH1A1 (0.41) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10745733 | 0.81 | CYP3A4 (0.37) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10745738 | 0.81 | CYP3A4 (0.37) | KMT2ACYP3A4CYP2C9CYP2C19LMNA | |
| SCHEMBL10518216 | 0.81 | CYP3A4 (0.40) | KMT2ACYP3A4CYP2C9CYP2C19LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5041459-A | Plant diseases; protection of industrial materials | BAYER AKTIENGESELLSCHAFT (DE) | 1991-08-20 | — | — | US | disclosed |
| EP-0405264-A1 | Hydroxy-keto-azoles | BAYER AG (DE) | 1991-01-02 | — | — | EP | disclosed |