Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 7/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.40 |
| ▸ | USP2 | O75604 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29341383 | 1.00 | CYP3A4 (0.40) | CYP3A4CYP2C19KMT2AMAPK1MEN1 | |
| SCHEMBL30676645 | 0.87 | USP30 (0.42) | HRH3 | |
| SCHEMBL23594972 | 0.87 | USP30 (0.42) | HRH3 | |
| SCHEMBL12748285 | 0.86 | BACE1 (0.42) | CYP2C19KMT2AMAPK1MEN1USP2 | |
| SCHEMBL29123000 | 0.84 | HRH3 (0.38) | CYP2C19CYP2C9HRH3ALDH1A1 | |
| SCHEMBL30676643 | 0.84 | HRH3 (0.38) | CYP2C19CYP2C9HRH3ALDH1A1 | |
| SCHEMBL26176388 | 0.77 | ALK (0.42) | — | |
| SCHEMBL31694099 | 0.77 | ALK (0.42) | — | |
| SCHEMBL20601760 | 0.77 | KMT2A (0.64) | KMT2AHSD17B10CYP1A2ALDH1A1HPGD | |
| SCHEMBL15836739 | 0.76 | CYP3A4 (0.44) | CYP3A4CYP2C19KMT2AMAPK1MEN1 |
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-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |