Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.39 |
| ▸ | CA1 | P00915 | 5/20 | 0.39 |
| ▸ | CA2 | P00918 | 5/20 | 0.39 |
| ▸ | CA9 | Q16790 | 5/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4437802 | 1.00 | EPHX1 (0.49) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL12648114 | 0.92 | EPHX1 (0.55) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL19594077 | 0.88 | TDP1 (0.56) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL23236537 | 0.87 | EPHX1 (0.49) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL23235247 | 0.87 | EPHX1 (0.49) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL14416206 | 0.87 | EPHX1 (0.49) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL3187239 | 0.85 | KMT2A (0.50) | EPHX1TDP1KMT2ACTSSCTSK | |
| SCHEMBL4433316 | 0.85 | EPHX1 (0.50) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL5030185 | 0.85 | TDP1 (0.51) | EPHX1TDP1MAOAMAOBKMT2A | |
| SCHEMBL3187247 | 0.85 | KMT2A (0.50) | EPHX1TDP1KMT2ACTSSCTSK |
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 |