Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29277114 | 0.84 | PIN1 (0.45) | ALDH1A1HPGDMAPTPIN1KDM4E | |
| SCHEMBL29277103 | 0.83 | PIN1 (0.47) | ALDH1A1HPGDMAPTPIN1KDM4E | |
| SCHEMBL29277094 | 0.81 | TAAR1 (0.49) | ALDH1A1MAPTPIN1KDM4ELMNA | |
| SCHEMBL11864499 | 0.81 | ALDH1A1 (0.45) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29277098 | 0.79 | KMT2A (0.50) | ALDH1A1HPGDMAPTKDM4ELMNA | |
| SCHEMBL7715763 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5860010 | 0.79 | ALDH1A1 (0.67) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29277123 | 0.77 | ALDH1A1 (0.60) | ALDH1A1MAPTPIN1LMNARECQL | |
| SCHEMBL7786981 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5860147 | 0.76 | ALDH1A1 (0.41) | ALDH1A1HPGDCYP1A2CYP3A4CYP2D6 |
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-117263760-A | Method for synthesizing tetrahydrobenzene-1-formamide compound by photocatalysis | 西南医科大学 | 2023-12-22 | — | — | CN | disclosed |