Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | CCKAR | P32238 | 5/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.38 |
| ▸ | FEN1 | P39748 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MT-CO1 | P00395 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5407239 | 0.94 | ALDH1A1 (0.49) | ADORA1ALDH1A1HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL5415850 | 0.89 | ALDH1A1 (0.49) | ADORA1ALDH1A1HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL5403894 | 0.89 | ADORA1 (0.52) | ADORA1CCKARMAPK1ALOX5APFEN1 | |
| SCHEMBL5407293 | 0.85 | MEN1 (0.49) | ADORA1ALDH1A1HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL5412680 | 0.85 | ADORA1 (0.54) | ADORA1KMT2ACCKAR | |
| SCHEMBL5396033 | 0.84 | ADORA1 (0.46) | ADORA1KMT2AMAPK1NPSR1LMNA | |
| SCHEMBL5405217 | 0.81 | ADORA1 (0.50) | ADORA1ALDH1A1HTTL3MBTL1SMN1; SMN2 | |
| SCHEMBL5397011 | 0.81 | ADORA1 (0.53) | ADORA1CCKARMAPK1 | |
| SCHEMBL5407288 | 0.81 | MEN1 (0.53) | ALDH1A1HTTL3MBTL1SMN1; SMN2MEN1 | |
| SCHEMBL5412664 | 0.80 | ADORA1 (0.48) | ADORA1MAPK1ALOX5APFEN1 |
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-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 |