Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.50 |
| ▸ | HTR2A | P28223 | 3/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | PNMT | P11086 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8587698 | 0.81 | MPO (0.47) | TAAR1HTR2ACYP2A6CYP1A2SLC6A4 | |
| SCHEMBL4664840 | 0.80 | CYP2A6 (0.39) | HTR2APNMTCYP2A6CYP1A2SLC6A4 | |
| SCHEMBL8589058 | 0.79 | TAAR1 (0.48) | TAAR1HTR2ACYP2A6CYP1A2SLC6A4 | |
| SCHEMBL8587766 | 0.79 | TAAR1 (0.48) | TAAR1HTR2ACYP2A6CYP1A2SLC6A4 | |
| SCHEMBL3985620 | 0.79 | CYP2A6 (0.38) | HTR2APNMTCYP2A6CYP1A2SLC6A4 | |
| SCHEMBL6002962 | 0.79 | CYP1A2 (0.38) | CYP2A6CYP1A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL2090742 | 0.79 | CYP2A6 (0.38) | HTR2APNMTCYP2A6CYP1A2SLC6A4 | |
| SCHEMBL2091808 | 0.78 | CYP1A2 (0.34) | CYP2A6CYP1A2SLC6A4CYP3A4CYP2D6 | |
| SCHEMBL73404 | 0.76 | TAAR1 (0.53) | TAAR1HTR2AADRA1AHTR6 | |
| SCHEMBL8584219 | 0.72 | TAAR1 (0.50) | TAAR1HTR2AMAOBPNMTCYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998027984-A1 | METHOD OF PRODUCING ANALGESIA BY ADMINISTRATION OF 1,2,3,4-TETRAHYDROBENZO-[b]THIENO[2,3-c]PYRIDINE AND DERIVATIVES | NEUREX CORPORATION (US) | 1998-07-02 | — | — | WO | disclosed |
| US-4971974-A | ANOREXIGENIC AGENTS, BENZO B!THIENO 2,3-C!PYRIDINE COMPOUNDS | NEUREX CORPORATION (US) | 1990-11-20 | — | — | US | disclosed |