Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.42 |
| ▸ | XDH | P47989 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL15947259 | 0.84 | MAPT (0.47) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL14898177 | 0.77 | CA12 (0.45) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL16742142 | 0.75 | COXFA4 (0.53) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL1012928 | 0.75 | CTNNB1 (0.54) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL9634302 | 0.74 | HIF1A (0.52) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL13477394 | 0.72 | SMN1; SMN2 (0.42) | ALOX5CA12CA9NPC1RAB9A | |
| SCHEMBL18144919 | 0.71 | OPRD1 (0.45) | ALOX5CA12CA9CA1CA2 | |
| SCHEMBL31417661 | 0.71 | PRKCI (0.57) | CA12CA9CA1CA2CA7 | |
| SCHEMBL3490016 | 0.71 | PRKCI (0.57) | CA12CA9CA1CA2CA7 | |
| SCHEMBL11693909 | 0.71 | KDM4E (0.46) | ALOX5CA12CA9CA1CA2 |
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 |