Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | GPR119 | Q8TDV5 | 4/20 | 0.49 |
| ▸ | TGFBR1 | P36897 | 3/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.45 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.45 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL25361166 | 0.90 | KDM4E (0.53) | KDM4EPKMGPR119TGFBR1PARP1 | |
| SCHEMBL30496080 | 0.84 | PTPN2 (0.60) | KDM4EGPR119PARP1RAB9APTPN2 | |
| SCHEMBL7714103 | 0.84 | PTPN2 (0.60) | KDM4EGPR119PARP1RAB9APTPN2 | |
| SCHEMBL26025076 | 0.82 | PTPN2 (0.54) | KDM4EPARP1RAB9APTPN2PTPN1 | |
| SCHEMBL30496051 | 0.82 | PTPN2 (0.54) | KDM4EPARP1RAB9APTPN2PTPN1 | |
| SCHEMBL25362245 | 0.82 | PTPN2 (0.54) | KDM4EPARP1RAB9APTPN2PTPN1 | |
| SCHEMBL377477 | 0.81 | ALDH1A1 (0.56) | KDM4EPKMGPR119PARP1RAB9A | |
| SCHEMBL5062917 | 0.81 | ALDH1A1 (0.53) | KDM4EPKMGPR119MEN1KMT2A | |
| SCHEMBL30496096 | 0.81 | GLS (0.55) | PARP1MEN1KMT2A | |
| SCHEMBL25362901 | 0.81 | GLS (0.55) | PARP1MEN1KMT2A |
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 |