Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.33 |
| ▸ | MPO | P05164 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.32 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28598576 | 1.00 | ALDH1A1 (0.35) | ALDH1A1CYP3A4RECQLRXFP1HPGD | |
| SCHEMBL22881690 | 0.83 | RXFP1 (0.35) | ALDH1A1RXFP1HPGDMPOPYCR1 | |
| SCHEMBL4632454 | 0.81 | NPC1 (0.43) | ALDH1A1CYP3A4RECQLKDM4EMAPT | |
| SCHEMBL4632456 | 0.81 | NPC1 (0.43) | ALDH1A1CYP3A4RECQLKDM4EMAPT | |
| SCHEMBL22636002 | 0.79 | RXFP1 (0.33) | ALDH1A1RXFP1MPOCASP1KDM4E | |
| SCHEMBL22647280 | 0.79 | RXFP1 (0.33) | ALDH1A1RXFP1MPOCASP1KDM4E | |
| SCHEMBL28596407 | 0.78 | ALOX5 (0.37) | ALDH1A1CYP3A4RECQLKDM4EGAA | |
| SCHEMBL8956862 | 0.78 | GPR183 (0.39) | ALDH1A1CYP3A4RECQLCASP1ERN1 | |
| SCHEMBL8956869 | 0.78 | GPR183 (0.39) | ALDH1A1CYP3A4RECQLCASP1ERN1 | |
| SCHEMBL28603277 | 0.78 | ALOX5 (0.37) | ALDH1A1CYP3A4RECQLKDM4EGAA |
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-113135816-A | Method for synthesizing photoactive bromohydrin compound | 常州大学 | 2021-07-20 | — | — | CN | disclosed |