Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | MPO | P05164 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | HTR1D | P28221 | 1/20 | 0.35 |
| ▸ | HTR1B | P28222 | 1/20 | 0.35 |
| ▸ | HTR2C | P28335 | 1/20 | 0.35 |
| ▸ | HTR7 | P34969 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31662555 | 0.82 | CYP2A6 (0.34) | CYP2A6CYP1A2CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL8587698 | 0.81 | MPO (0.47) | TAAR1CYP2A6HTR6MPOSLC6A4 | |
| SCHEMBL8589058 | 0.79 | TAAR1 (0.48) | TAAR1CYP2A6HTR6MPOSLC6A4 | |
| SCHEMBL8587770 | 0.79 | TAAR1 (0.50) | TAAR1CYP2A6HTR6MPOSLC6A4 | |
| SCHEMBL6299526 | 0.79 | GABRA1 (0.42) | CYP2A6CYP1A2CYP2D6MAPTSMN1; SMN2 | |
| SCHEMBL73404 | 0.76 | TAAR1 (0.53) | TAAR1HTR6HTR2A | |
| SCHEMBL16237896 | 0.75 | PSMB8 (0.36) | — | |
| SCHEMBL23149029 | 0.75 | CCR4 (0.34) | CYP2A6CYP1A2CYP2D6CA2 | |
| SCHEMBL31662659 | 0.75 | CA2 (0.30) | CYP2A6CA2 | |
| SCHEMBL8585665 | 0.72 | CA2 (0.56) | TAAR1CYP2A6HTR6HTR2ACYP1A2 |
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 |