Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | HTR7 | P34969 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | SMPD1 | P17405 | 3/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30799968 | 1.00 | MAOA (0.35) | MAOAMAOBALDH1A1KCNA3HTR1A | |
| SCHEMBL30799937 | 0.86 | ALDH1A1 (0.38) | MAOBALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29128396 | 0.86 | ALDH1A1 (0.38) | MAOBALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29128179 | 0.85 | ALDH1A1 (0.42) | MAOBALDH1A1KCNA3 | |
| SCHEMBL29128261 | 0.81 | THRB (0.35) | ALDH1A1SMPD1 | |
| SCHEMBL30799830 | 0.81 | THRB (0.35) | ALDH1A1SMPD1 | |
| SCHEMBL29128337 | 0.81 | RAB9A (0.46) | MAOAMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30799894 | 0.81 | RAB9A (0.46) | MAOAMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL30788479 | 0.81 | ALDH1A1 (0.47) | MAOAMAOBALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL29128368 | 0.79 | ALDH1A1 (0.49) | MAOBALDH1A1KCNA3 |
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-117263862-A | Phenol-1, 3-oxazole/dihydroimidazole-2-ketone/thioketone compound and synthesis and application thereof | 吉首大学 | 2023-12-22 | — | — | CN | disclosed |