Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.33 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27679867 | 0.83 | EPHX1 (0.42) | EPHX1CYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL28691672 | 0.83 | EPHX1 (0.53) | EPHX1CYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL17493719 | 0.83 | EPHX1 (0.58) | EPHX1CYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL2091382 | 0.82 | KDM4E (0.41) | EPHX1 | |
| SCHEMBL4439406 | 0.82 | PRMT3 (0.41) | EPHX1CYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL23826211 | 0.82 | PRMT3 (0.41) | EPHX1CYP2D6NPC1RAB9AL3MBTL1 | |
| SCHEMBL6062059 | 0.81 | EPHX1 (0.61) | EPHX1EPHX2CYP2D6NPC1RAB9A | |
| SCHEMBL14718558 | 0.78 | CYP2D6 (0.55) | EPHX1EPHX2CYP2D6NPC1RAB9A | |
| SCHEMBL481633 | 0.78 | CYP2D6 (0.55) | EPHX1EPHX2CYP2D6NPC1RAB9A | |
| SCHEMBL6119947 | 0.78 | NAMPT (0.41) | EPHX1EPHX2CYP2D6NPC1RAB9A |
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 |