Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 6/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 6/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 6/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 7/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL70986 | 0.73 | OPRM1 (0.49) | OPRM1OPRK1OPRL1OPRD1CYP3A4 | |
| SCHEMBL18924468 | 0.68 | ADRA2A (0.35) | HIF1AALDH1A1LMNACYP2C19 | |
| SCHEMBL20198149 | 0.68 | MGLL (0.48) | — | |
| SCHEMBL18924436 | 0.66 | HPGD (0.40) | HIF1AALDH1A1LMNACYP2C19 | |
| SCHEMBL22787085 | 0.66 | ALDH1A1 (0.36) | ALDH1A1LMNACYP2C19 | |
| SCHEMBL25874874 | 0.63 | HCAR2 (0.40) | CYP2D6LMNAKMT2ACYP2C19 | |
| SCHEMBL19591149 | 0.61 | OPRK1 (0.38) | OPRM1OPRK1OPRL1OPRD1CYP3A4 | |
| SCHEMBL19591157 | 0.61 | OPRK1 (0.38) | OPRM1OPRK1OPRL1OPRD1CYP3A4 | |
| SCHEMBL24310267 | 0.61 | HPGD (0.39) | CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL17542448 | 0.61 | OPRM1 (0.50) | OPRM1OPRK1OPRL1OPRD1CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3110816-B1 | N2-PHENYL-PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE DERIVATIVES AND THEIR USE AS MPS1 INHIBITORS | CANCER RESEARCH TECH LTD (GB) | 2019-06-19 | — | — | EP | disclosed |