Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADH1B | P00325 | 1/20 | 0.59 |
| ▸ | ADH1C | P00326 | 1/20 | 0.59 |
| ▸ | ADH1A | P07327 | 1/20 | 0.59 |
| ▸ | ADH7 | P40394 | 1/20 | 0.59 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.58 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.46 |
| ▸ | ACHE | P22303 | 4/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | AGXT | P21549 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3303150 | 1.00 | ADH1B (0.59) | ADH1BADH1CADH1AADH7CHRM2 | |
| SCHEMBL4344655 | 0.92 | PNMT (0.65) | ADH1BADH1CADH1AADH7CHRM2 | |
| SCHEMBL8750958 | 0.86 | ADH1B (0.71) | ADH1BADH1CADH1AADH7CHRM2 | |
| SCHEMBL2473716 | 0.83 | TAAR1 (0.62) | CHRM2HDAC1CYP3A4CYP1A2CYP2D6 | |
| SCHEMBL7066938 | 0.81 | CHRM2 (0.74) | CHRM2HDAC1PNMTCYP3A4CYP1A2 | |
| SCHEMBL3514620 | 0.81 | CHRM2 (0.53) | CHRM2HDAC1PNMTCYP3A4CYP1A2 | |
| SCHEMBL12614632 | 0.81 | CHRM2 (0.53) | CHRM2HDAC1PNMTCYP3A4CYP1A2 | |
| SCHEMBL350370 | 0.79 | ADH1B (0.50) | ADH1BADH1CADH1AADH7LMNA | |
| SCHEMBL11673587 | 0.78 | CHRM2 (0.89) | CHRM2CYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7774786 | 0.78 | CHRM2 (0.81) | CHRM2HDAC1PNMTCYP3A4CYP1A2 |
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-109863145-B | Novel tetrahydroisoquinoline and tetrahydronaphthyridine compounds for the treatment and prevention of hepatitis b virus infection | 豪夫迈·罗氏有限公司 | 2022-04-12 | — | — | CN | disclosed |