Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CASP1 | P29466 | 5/20 | 0.39 |
| ▸ | CASP7 | P55210 | 5/20 | 0.39 |
| ▸ | USP2 | O75604 | 4/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | SYK | P43405 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.37 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL30014710 | 1.00 | MTOR (0.41) | MTORALDH1A1CASP1CASP7USP2 | |
| SCHEMBL24698381 | 1.00 | MTOR (0.41) | MTORALDH1A1CASP1CASP7USP2 | |
| SCHEMBL30015886 | 0.86 | HRH3 (0.36) | MTORALDH1A1CASP1CASP7USP2 | |
| SCHEMBL24698648 | 0.86 | HRH3 (0.36) | MTORALDH1A1CASP1CASP7USP2 | |
| SCHEMBL24697557 | 0.84 | HRH3 (0.39) | ALDH1A1HSD17B10HRH3HPGD | |
| SCHEMBL24699438 | 0.84 | HRH3 (0.49) | MTORALDH1A1CYP1A2HRH3CYP2C9 | |
| SCHEMBL30015449 | 0.84 | HRH3 (0.39) | ALDH1A1HSD17B10HRH3HPGD | |
| SCHEMBL30015974 | 0.84 | TDP1 (0.39) | MTORTSHRHRH3SMN1; SMN2CYP3A4 | |
| SCHEMBL24698168 | 0.83 | HRH2 (0.43) | ALDH1A1HSD17B10HRH3CYP2D6 | |
| SCHEMBL30016142 | 0.82 | MEN1 (0.31) | HRH3 |
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-117120429-A | KHK inhibitor | 吉利德科学公司 | 2023-11-24 | — | — | CN | disclosed |