Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.35 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.35 |
| ▸ | GALR1 | P47211 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | IGF1R | P08069 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL16593763 | 0.98 | RAB9A (0.37) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL18571103 | 0.91 | TP53 (0.40) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL11805808 | 0.82 | LPL (0.41) | OPRM1OPRD1OPRK1OPRL1ALDH1A1 | |
| SCHEMBL19194397 | 0.82 | CCR9 (0.40) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL10602015 | 0.81 | ESR1 (0.42) | ALDH1A1SLC6A4SLC6A3L3MBTL1 | |
| SCHEMBL4444659 | 0.80 | HRH3 (0.37) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL25863420 | 0.78 | OPRM1 (0.37) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL24760393 | 0.77 | AKT1 (0.45) | — | |
| SCHEMBL12045145 | 0.77 | KCNH2 (0.56) | OPRM1OPRD1OPRK1OPRL1TP53 | |
| SCHEMBL26221087 | 0.77 | GALR1 (0.38) | OPRM1OPRD1OPRK1OPRL1TP53 |
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-3219709-A1 | INTERMEDIATE COMPOUND OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-09-20 | — | — | EP | disclosed |