Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | QDPR | P09417 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | AR | P10275 | 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 | |
|---|---|---|---|---|
| SCHEMBL12345263 | 0.78 | QDPR (0.47) | PTPN1QDPRALOX5AR | |
| SCHEMBL9872484 | 0.71 | ACMSD (0.53) | QDPR | |
| SCHEMBL570970 | 0.67 | — | — | |
| SCHEMBL2719092 | 0.64 | MEN1 (0.50) | AR | |
| SCHEMBL15095470 | 0.64 | MEN1 (0.50) | AR | |
| SCHEMBL2102755 | 0.64 | NPC1 (0.53) | AR | |
| SCHEMBL13429767 | 0.64 | — | — | |
| SCHEMBL2122383 | 0.64 | — | — | |
| SCHEMBL6513110 | 0.64 | — | — | |
| SCHEMBL2836319 | 0.63 | ESR1 (0.44) | AR |
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-2674428-B1 | Modulators of ATP-binding cassette transporters | VERTEX PHARMA (US) | 2016-04-06 | — | — | EP | disclosed |
| EP-2007756-B1 | MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMA (US) | 2015-08-26 | — | — | EP | disclosed |