Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 5/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL10002194 | 0.71 | NOS1 (0.55) | NOS1ADORA2AADORA1 | |
| SCHEMBL1207018 | 0.70 | ALDH1A1 (0.47) | NOS1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL17203208 | 0.70 | NOS1 (0.46) | NOS1 | |
| SCHEMBL28211490 | 0.69 | HSP90AA1 (0.51) | NOS1DHFRADORA2AADORA1 | |
| SCHEMBL17203383 | 0.69 | KMT2A (0.44) | NOS1 | |
| SCHEMBL20040128 | 0.69 | NOS1 (0.54) | NOS1ADORA3ADORA2AADORA2BADORA1 | |
| SCHEMBL15660847 | 0.68 | ILK (0.47) | NOS1 | |
| SCHEMBL408832 | 0.67 | NPC1 (0.59) | — | |
| SCHEMBL736022 | 0.67 | DHFR (0.58) | DHFRFGFR1ADORA2AADORA1 | |
| SCHEMBL4200127 | 0.67 | FGFR1 (0.71) | DHFRFGFR1ADORA1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2152702-B1 | AMINO-THIAZOLYL- PYRIMIDINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER | ASTRAZENECA AB (SE) | 2011-08-24 | — | — | EP | claimed |