Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | GAPDH | P04406 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AGO2 | Q9UKV8 | 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 | |
|---|---|---|---|---|
| SCHEMBL8587901 | 0.81 | HTR2A (0.47) | HTR2CTAAR1CYP2A6CA2KDM4E | |
| SCHEMBL1727943 | 0.80 | CYP2A6 (0.43) | CYP2A6CA2KDM4E | |
| SCHEMBL8585665 | 0.79 | CA2 (0.56) | HTR2CTAAR1CYP2A6CA2ALDH1A1 | |
| SCHEMBL8584219 | 0.79 | TAAR1 (0.50) | TAAR1CYP2A6CA2DRD2 | |
| SCHEMBL25030243 | 0.79 | HTR2A (0.54) | HTR2CTAAR1CYP2A6CA2MEN1 | |
| SCHEMBL25028212 | 0.79 | HTR2A (0.58) | HTR2CCYP2A6DRD1ALDH1A1CYP1A2 | |
| SCHEMBL25029525 | 0.76 | HTR2A (0.39) | CYP2A6CA2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL25029542 | 0.76 | MPO (0.38) | CYP2A6CA2ALDH1A1CYP1A2CYP2D6 | |
| SCHEMBL1727525 | 0.76 | TP53 (0.42) | HTR2CTAAR1CYP2A6CA2MAPT | |
| SCHEMBL8586513 | 0.76 | TAAR1 (0.53) | TAAR1KDM4E |
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 |