Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 4/20 | 0.54 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.54 |
| ▸ | APP | P05067 | 4/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.54 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.54 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.54 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.54 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.54 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.54 |
| ▸ | AKR1C1 | Q04828 | 4/20 | 0.50 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.50 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.50 |
| ▸ | CCR2 | P41597 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.42 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.42 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL301864 | 0.84 | APP (0.66) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL10110060 | 0.84 | AKR1C1 (0.57) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL30223691 | 0.81 | APP (0.55) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL1465484 | 0.81 | APP (0.55) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL31759329 | 0.79 | APP (0.69) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL14272919 | 0.79 | KMT2A (0.48) | OPRM1 | |
| SCHEMBL13279749 | 0.79 | AKR1C3 (0.57) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL1466204 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL13279751 | 0.79 | AKR1C3 (0.57) | AKR1C3AKR1C2APPCYP2C19CYP2C9 | |
| SCHEMBL30223684 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C2APPCYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3882245-A1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2021-09-22 | — | — | EP | disclosed |
| EP-3327016-A1 | PREPARATION OF MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2018-05-30 | — | — | EP | disclosed |