Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.39 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | PARG | Q86W56 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3820085 | 0.85 | USP2 (0.47) | USP2ALDH1A1HDAC6HDAC8CASP3 | |
| SCHEMBL5739962 | 0.81 | HDAC6 (0.43) | USP2ALDH1A1HDAC6HDAC8CASP3 | |
| SCHEMBL5741084 | 0.81 | PARG (0.47) | USP2ALDH1A1HDAC6HDAC8MEN1 | |
| SCHEMBL5739868 | 0.81 | HDAC6 (0.69) | USP2ALDH1A1HDAC6HDAC8MEN1 | |
| SCHEMBL9919073 | 0.77 | CASP3 (0.54) | CASP3MEN1KMT2AATMMAPT | |
| SCHEMBL26688703 | 0.76 | MEN1 (0.51) | CASP3MEN1KMT2AATMMAPT | |
| SCHEMBL30757281 | 0.76 | MEN1 (0.51) | CASP3MEN1KMT2AATMMAPT | |
| SCHEMBL28627498 | 0.76 | HSD17B10 (0.47) | USP2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL29723966 | 0.76 | HSD17B10 (0.47) | USP2ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL28631099 | 0.76 | CACNA2D1 (0.49) | USP2ALDH1A1CASP3HTT |
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-1646615-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2006-04-19 | — | — | EP | disclosed |
| WO-2004111014-A1 | PYRIMIDINE DERIVATIVES AS MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-12-23 | — | — | WO | disclosed |