Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GLA | P06280 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.53 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13911221 | 0.85 | TAAR1 (0.66) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27606121 | 0.82 | TAAR1 (0.44) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8082929 | 0.82 | TAAR1 (0.63) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL27580254 | 0.81 | CYP1A2 (0.53) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29168328 | 0.81 | TAAR1 (0.71) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| Ammonia Solution, Strong SCHEMBL14718471 | 0.80 | TAAR1 (0.61) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL29168275 | 0.80 | GLA (0.49) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4341951 | 0.77 | PTGS2 (0.52) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6679790 | 0.75 | TAAR1 (0.59) | CYP1A2GLACYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5529492 | 0.74 | CYP3A4 (0.58) | CYP1A2GLACYP3A4CYP2D6CYP2C9 |
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-117529476-A | Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments | 亚飞络思制药公司 | 2024-02-06 | — | — | CN | disclosed |