Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.38 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4443369 | 1.00 | EPHX1 (0.44) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL12692987 | 0.87 | ACACB (0.49) | EPHX1KMT2AACACBCTSSCTSK | |
| SCHEMBL1498312 | 0.87 | ACACB (0.49) | EPHX1KMT2AACACBCTSSCTSK | |
| SCHEMBL31645294 | 0.86 | EPHX1 (0.45) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL31645296 | 0.86 | EPHX1 (0.45) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL12648114 | 0.85 | EPHX1 (0.55) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL7818592 | 0.83 | EPHX1 (0.44) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL7818586 | 0.83 | EPHX1 (0.44) | EPHX1TDP1KMT2AMEN1GAA | |
| SCHEMBL17235862 | 0.82 | ACACB (0.45) | EPHX1KMT2AMEN1ACACBCTSS | |
| SCHEMBL1204588 | 0.82 | ACACB (0.45) | EPHX1KMT2AMEN1ACACBCTSS |
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 |