Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | QPCT | Q16769 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.51 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.51 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL9373597 | 0.95 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9021116 | 0.88 | SIGMAR1 (0.52) | QPCTLMNASMN1; SMN2ALDH1A1 | |
| SCHEMBL22431540 | 0.88 | CYP19A1 (0.59) | QPCTCYP19A1CYP11B1CYP11B2LMNA | |
| SCHEMBL9021040 | 0.85 | CYP19A1 (0.47) | QPCTCYP19A1LMNA | |
| SCHEMBL8445916 | 0.82 | QPCT (0.54) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8444444 | 0.81 | QPCT (0.53) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL9369163 | 0.80 | ACACB (0.51) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8443995 | 0.79 | TP53 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6571544 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8446163 | 0.78 | QPCT (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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-5547972-A | 1-(ARLALKYLAMINOALKYL) IMIDAZOLE DERIVATIVES | THE BOOTS COMPANY PLC (GB) | 1996-08-20 | — | — | US | disclosed |