Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 10/20 | 0.53 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3663184 | 0.74 | ADORA2A (0.47) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL23224152 | 0.74 | ADORA2A (0.41) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL31631304 | 0.74 | ADORA2A (0.47) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL102331 | 0.72 | PDPK1 (0.59) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL28003149 | 0.71 | CHEK2 (0.40) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL29776129 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL23212719 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL30237754 | 0.71 | ADORA2A (0.42) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL30534095 | 0.70 | PDPK1 (0.56) | ADORA2AADORA1ALDH1A1TSHRNOS1 | |
| SCHEMBL30632310 | 0.70 | PDPK1 (0.56) | ADORA2AADORA1ALDH1A1TSHRNOS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1501514-A4 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS INC (US) | 2009-08-26 | — | — | EP | claimed |
| EP-1501514-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | Exelixis, Inc. (US) | 2005-02-02 | — | — | EP | claimed |
| WO-2003093297-A2 | PROTEIN KINASE MODULATORS AND METHODS OF USE | EXELIXIS, INC. (US) | 2003-11-13 | — | — | WO | claimed |