Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.63 |
| ▸ | IDO1 | P14902 | 2/20 | 0.50 |
| ▸ | AGXT | P21549 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | GLS | O94925 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9347991 | 0.88 | TAAR1 (0.55) | TAAR1IDO1AGXTMAOBGLS | |
| SCHEMBL1646500 | 0.86 | TAAR1 (0.63) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL4399626 | 0.85 | TAAR1 (0.74) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL5240585 | 0.81 | TAAR1 (0.68) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL19524669 | 0.79 | TAAR1 (0.65) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL30688447 | 0.79 | TAAR1 (0.65) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL28448944 | 0.79 | TAAR1 (0.54) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL705920 | 0.79 | TAAR1 (0.65) | TAAR1IDO1AGXTMAOBSMN1; SMN2 | |
| SCHEMBL9660784 | 0.79 | TAAR1 (0.65) | TAAR1IDO1AGXTMAOBTDP1 | |
| SCHEMBL6011725 | 0.78 | IDO1 (0.39) | TAAR1IDO1AGXTGLSCYP1A2 |
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-114634432-B | High-efficiency synthesis method of alkyl aryl thioether compound | 润药仁智(北京)科技有限公司 | 2023-03-14 | — | — | CN | disclosed |
| CN-114634432-A | High-efficiency synthesis method of alkyl aryl thioether compound | 北京大学 | 2022-06-17 | — | — | CN | disclosed |