Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.74 |
| ▸ | IDO1 | P14902 | 2/20 | 0.56 |
| ▸ | AGXT | P21549 | 2/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.53 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 3/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| (S)-M-Methoxyamphetamine SCHEMBL30813013 | 0.85 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL269071 | 0.85 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| SCHEMBL27642642 | 0.85 | TAAR1 (0.68) | TAAR1IDO1AGXTCHRM2AOC3 | |
| (S)-M-Methoxyamphetamine SCHEMBL3293027 | 0.85 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL11461072 | 0.85 | TAAR1 (1.00) | TAAR1IDO1AGXTSIGMAR1 | |
| (S)-M-Methoxyamphetamine SCHEMBL30559562 | 0.84 | TAAR1 (0.96) | TAAR1IDO1AGXTSIGMAR1 | |
| SCHEMBL10501393 | 0.82 | TAAR1 (0.64) | TAAR1IDO1AGXTCHRM2AOC3 | |
| SCHEMBL151945 | 0.82 | TAAR1 (0.74) | TAAR1IDO1AGXTCHRM2AOC3 | |
| SCHEMBL13349231 | 0.81 | TAAR1 (0.72) | TAAR1IDO1AGXTCHRM2AOC3 | |
| SCHEMBL4572890 | 0.81 | TAAR1 (0.72) | TAAR1IDO1AGXTCHRM2AOC3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0618900-B1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | KNOLL AG (DE) | 1997-03-12 | — | — | EP | disclosed |
| US-5519034-A | ANALGESICS | THE BOOTS COMPANY PLC (GB) | 1996-05-21 | — | — | US | disclosed |
| WO-1993013073-A1 | SUBSTITUTED TETRAHYDROISOQUINOLINES AND THEIR USE AS THERAPEUTIC AGENTS | THE BOOTS COMPANY PLC (GB) | 1993-07-08 | — | — | WO | disclosed |