Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 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 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11079034 | 0.85 | OPRM1 (0.40) | CYP19A1ALDH1A1PKMCYP3A4CYP2C19 | |
| SCHEMBL3793619 | 0.85 | CYP3A4 (0.51) | CYP19A1CYP3A4CYP2C19LMNAHSP90AA1 | |
| SCHEMBL10971747 | 0.81 | NPC1 (0.46) | CYP19A1ALDH1A1PKMOPRM1OPRD1 | |
| SCHEMBL10972434 | 0.80 | CYP19A1 (0.43) | CYP19A1ALDH1A1CYP3A4CYP2C19LMNA | |
| SCHEMBL16520840 | 0.80 | CYP3A4 (0.37) | CYP19A1ALDH1A1PKMCYP3A4CYP2C19 | |
| SCHEMBL30788056 | 0.78 | CYP3A4 (0.50) | CYP19A1CYP3A4CYP2C19LMNAHSP90AA1 | |
| SCHEMBL20365808 | 0.76 | MC4R (0.44) | CYP19A1CYP3A4CYP2C19LMNAHSP90AA1 | |
| SCHEMBL10972636 | 0.75 | NPSR1 (0.48) | CYP19A1ALDH1A1CYP3A4CYP2C19HSP90AA1 | |
| SCHEMBL9480588 | 0.75 | OPRM1 (0.36) | ALDH1A1PKMCYP3A4CYP2C19HSP90AA1 | |
| SCHEMBL24136282 | 0.74 | CYP3A4 (0.49) | CYP19A1ALDH1A1CYP3A4CYP2C19LMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0148858-A1 | NOVEL TRIAZOLYL-SUBSTITUTED PROPANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1985-07-24 | — | — | EP | disclosed |
| WO-1984004918-A1 | NOVEL TRIAZOLYL-SUBSTITUTED PROPANE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORP (US) | 1984-12-20 | — | — | WO | disclosed |
| EP-0127865-A1 | Novel triazolyl-substituted propane derivatives, their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1984-12-12 | — | — | EP | disclosed |
| US-4482564-A | FUNGICIDES | SCHERING CORPORATION (US) | 1984-11-13 | — | — | US | disclosed |