Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.37 |
| ▸ | CYP51A1 | Q16850 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10407777 | 0.91 | KMT2A (0.46) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL10631729 | 0.90 | ALDH1A1 (0.55) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL10469561 | 0.88 | ALDH1A1 (0.51) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL10977130 | 0.83 | ALDH1A1 (0.43) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL10638069 | 0.81 | ALDH1A1 (0.55) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL10460171 | 0.78 | CYP3A4 (0.47) | CYP3A4ALDH1A1SMN1; SMN2CYP2C19CYP2C9 | |
| SCHEMBL10408719 | 0.78 | ALDH1A1 (0.55) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL12870569 | 0.77 | ALDH1A1 (0.50) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL950886 | 0.77 | ALDH1A1 (0.50) | CYP3A4ALDH1A1MAPTSMN1; SMN2CYP2C19 | |
| SCHEMBL269849 | 0.77 | ALDH1A1 (0.66) | CYP3A4ALDH1A1MAPTSMN1; SMN2HSP90AA1 |
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-4904682-A | Treating mycoses with triazolylalkanols | BAYER AKTIENGESELLSCHAFT (DE) | 1990-02-27 | — | — | US | disclosed |
| EP-0313983-A2 | Use of triazolyl alkanols in the treatment of illnesses | BAYER AG (DE) | 1989-05-03 | — | — | EP | disclosed |