Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | MGMT | P16455 | 2/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.41 |
| ▸ | TPO | P07202 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | EPX | P11678 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 2/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | BCL6 | P41182 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1494107 | 0.79 | AURKA (0.48) | AURKAHSP90AA1PRKACAADORA2AROCK1 | |
| SCHEMBL16399362 | 0.79 | TSHR (0.48) | TSHRCYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL28159223 | 0.78 | NUDT1 (0.47) | TSHRAURKAHSP90AA1PRKACAADORA2A | |
| SCHEMBL9096133 | 0.77 | KCNH2 (0.57) | AURKAHSP90AA1PRKACAADORA2AROCK1 | |
| SCHEMBL18002923 | 0.76 | TSHR (0.46) | TSHRCYP3A4MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL1034474 | 0.76 | NUDT1 (0.55) | AURKAHSP90AA1PRKACAADORA2AROCK1 | |
| Methyl Alcohol SCHEMBL29176241 | 0.75 | L3MBTL1 (0.45) | AURKAHSP90AA1PRKACAADORA2AROCK1 | |
| SCHEMBL1983321 | 0.74 | TSHR (0.47) | TSHRMGMTCDK1CCNB1CCNA2 | |
| SCHEMBL1998718 | 0.74 | HSP90AB1 (0.51) | TSHRHSP90AA1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL6012026 | 0.74 | TSHR (0.43) | TSHRMGMTMPOTPOCYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-110325516-A | HETEROARYL COMPOUNDS AND THEIR USE | 米尼奥尔克斯治疗有限公司 | 2019-10-11 | — | — | CN | disclosed |