Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | CLK1 | P49759 | 4/20 | 0.34 |
| ▸ | CDC7 | O00311 | 3/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 4/20 | 0.33 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5401253 | 0.90 | DHFR (0.39) | NOTUMAURKACDK2MAPK1 | |
| SCHEMBL5401708 | 0.86 | DHFR (0.41) | NOTUMKMT2AAURKACDK2MAPK1 | |
| SCHEMBL5391016 | 0.85 | LMNA (0.36) | NOTUMMAPK1 | |
| SCHEMBL5396690 | 0.81 | AURKA (0.42) | NOTUMADORA1AURKACDK2MAPK1 | |
| SCHEMBL5397339 | 0.81 | ADORA1 (0.57) | GFERKMT2AADORA2AADORA1 | |
| SCHEMBL5406903 | 0.79 | AURKA (0.41) | NOTUMAURKACDK2MAPK1 | |
| SCHEMBL27599654 | 0.78 | P2RX3 (0.41) | NOTUMADORA2AADORA1MAPK1 | |
| SCHEMBL5395561 | 0.77 | AURKA (0.56) | AURKACDK2MAPK1 | |
| SCHEMBL5392700 | 0.77 | MAPK1 (0.51) | ADORA2AMAPK1 | |
| SCHEMBL5399205 | 0.76 | ADORA1 (0.48) | NOTUMCLK1CDC7GFERKMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | claimed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | claimed |
| EP-1363906-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-11-26 | — | — | EP | disclosed |
| WO-2002064586-A2 | HETEROCYCLIC INHIBITORS OF ERK2 AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-08-22 | — | — | WO | disclosed |