Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA4 | P22748 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.37 |
| ▸ | TTK | P33981 | 4/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | ATRIP | Q8WXE1 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL30015541 | 1.00 | MTOR (0.42) | MTORCA1CA2CA4CA7 | |
| SCHEMBL24698349 | 0.92 | MTOR (0.36) | MTORCYP1A2CYP2C19ATRATRIP | |
| SCHEMBL30015473 | 0.92 | MTOR (0.36) | MTORCYP1A2CYP2C19ATRATRIP | |
| SCHEMBL30015725 | 0.91 | ATR (0.43) | MTORCYP1A2CYP2C19ATRATRIP | |
| SCHEMBL24697799 | 0.91 | ATR (0.43) | MTORCYP1A2CYP2C19ATRATRIP | |
| SCHEMBL24698473 | 0.88 | USP30 (0.41) | MTORSYKMEN1KMT2A | |
| SCHEMBL24698949 | 0.88 | SYK (0.38) | MTORSYKMAOACYP1A2CYP2C19 | |
| SCHEMBL24698105 | 0.87 | HRH3 (0.40) | CA1CA2CA7CA12CA9 | |
| SCHEMBL24699256 | 0.87 | MEN1 (0.37) | MTORCYP1A2CYP2C19ATRATRIP | |
| SCHEMBL24697739 | 0.87 | PIK3CD (0.35) | MTORCYP2C19PIK3CDPIK3CAPIK3CG |
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 |
|---|---|---|---|---|---|---|---|
| CN-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |
| WO-2022212194-A1 | KHK INHIBITORS | GILEAD SCIENCES, INC. (US) | 2022-10-06 | — | — | WO | disclosed |