Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 11/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092132 | 0.93 | ADORA1 (0.56) | MAPTNPSR1ADORA1ADORA2ALMNA | |
| SCHEMBL5400630 | 0.87 | MAPT (0.51) | MAPTNPSR1ADORA1ADORA2ALMNA | |
| SCHEMBL5412967 | 0.82 | ADORA1 (0.54) | MAPTNPSR1ADORA1ADORA2ALMNA | |
| SCHEMBL7093351 | 0.81 | JMJD6 (0.46) | MAPTADORA2A | |
| SCHEMBL5412975 | 0.80 | ADORA1 (0.54) | MAPTNPSR1ADORA1ADORA2AMAPK10 | |
| SCHEMBL5413030 | 0.75 | MAPT (0.38) | MAPTNPSR1ADORA1ADORA2A | |
| SCHEMBL6779517 | 0.74 | TDP1 (0.49) | MAPTADORA2ALMNAGAAKMT2A | |
| SCHEMBL29020234 | 0.69 | TDP1 (0.49) | MAPTLMNAKMT2A | |
| SCHEMBL1553677 | 0.69 | ADORA1 (0.69) | ADORA1ADORA2AKMT2A | |
| SCHEMBL26241207 | 0.68 | TDP1 (0.51) | MAPTLMNAGAAKMT2A |
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 |