Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.71 |
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CSNK2A1 | P68400 | 10/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.44 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.44 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.44 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LOX | P28300 | 1/20 | 0.43 |
| ▸ | LOXL3 | P58215 | 1/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL879052 | 1.00 | CYP3A4 (0.71) | CYP3A4TSHRCSNK2A1ALDH1A1MAPK1 | |
| SCHEMBL30097830 | 0.83 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| SCHEMBL43509 | 0.83 | CYP3A4 (1.00) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| SCHEMBL1170188 | 0.83 | CYP3A4 (0.74) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| SCHEMBL2735049 | 0.82 | TAAR1 (0.69) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| SCHEMBL638305 | 0.81 | TP53 (0.52) | CYP3A4TSHRCSNK2A1PNMTTAAR1 | |
| SCHEMBL8765734 | 0.81 | CYP3A4 (0.95) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| Ammonia Solution, Strong SCHEMBL9140534 | 0.81 | CYP3A4 (0.95) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| Hydrochloric Acid SCHEMBL1467765 | 0.80 | TAAR1 (0.67) | CYP3A4TSHRALDH1A1MAPK1PNMT | |
| SCHEMBL112200 | 0.80 | PNMT (0.67) | CSNK2A1PNMTTAAR1CSNK2A2CSNK2B |
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-114206870-B | Tricyclic AKR1C 3-dependent KARS inhibitors | 诺华股份有限公司 | 2024-09-03 | — | — | CN | disclosed |
| CN-114206870-A | Tricyclic AKR1C3 dependent KARS inhibitors | 诺华股份有限公司 | 2022-03-18 | — | — | CN | disclosed |