Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25387056 | 0.77 | DRD2 (0.44) | HTR1AADRA2ASLC6A2L3MBTL1TDP1 | |
| SCHEMBL31283719 | 0.77 | DRD2 (0.44) | HTR1AADRA2ASLC6A2L3MBTL1TDP1 | |
| SCHEMBL28804293 | 0.74 | GABRP (0.42) | — | |
| SCHEMBL25218643 | 0.73 | OPRM1 (0.40) | SLC6A2HTR3ATDP1 | |
| SCHEMBL24484657 | 0.73 | DDB1 (0.37) | KDM4EL3MBTL1KMT2ATDP1 | |
| SCHEMBL6562985 | 0.71 | HRH1 (0.48) | CHRNA7KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL3866792 | 0.71 | ALDH1A1 (0.37) | ALDH1A1TDP1 | |
| SCHEMBL29971087 | 0.70 | RET (0.32) | — | |
| SCHEMBL1087370 | 0.70 | CYP46A1 (0.46) | ALDH1A1SLC6A2CYP2C19L3MBTL1KMT2A | |
| SCHEMBL29571928 | 0.70 | CYP46A1 (0.46) | ALDH1A1SLC6A2CYP2C19L3MBTL1KMT2A |
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-2124951-A1 | 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2009-12-02 | — | — | EP | disclosed |
| WO-2008079346-A1 | 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-07-03 | — | — | WO | disclosed |