Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL31560764 | 0.80 | MAPT (0.36) | KMO | |
| SCHEMBL15381207 | 0.79 | JAK1 (0.38) | POLB | |
| SCHEMBL4187054 | 0.72 | DHFR (0.33) | — | |
| SCHEMBL14485047 | 0.68 | KMT2A (0.45) | KMO | |
| SCHEMBL844838 | 0.67 | PIK3CB (0.38) | — | |
| SCHEMBL24150591 | 0.66 | KMO (0.50) | POLBKMO | |
| SCHEMBL23168749 | 0.64 | JAK2 (0.39) | — | |
| SCHEMBL22686552 | 0.64 | JAK2 (0.39) | — | |
| SCHEMBL22648913 | 0.64 | JAK2 (0.39) | — | |
| SCHEMBL25053114 | 0.64 | HSP90AA1 (0.44) | POLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8580802-B2 | Pyrrolo[2,3-D]pyrimidines as inhibitors of Janus kinases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2013-11-12 | — | — | US | disclosed |
| EP-1931674-B1 | DEAZAPURINES USEFUL AS INHIBITORS OF JANUS KINASES | VERTEX PHARMA (US) | 2012-12-12 | — | — | EP | disclosed |
| EP-2532667-A1 | Deazapurines useful as inhibitors of janus kinases | Vertex Pharmaceuticals Incorporated (US) | 2012-12-12 | — | — | EP | disclosed |