Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.56 |
| ▸ | HTR2A | P28223 | 2/20 | 0.45 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | HTR5A | P47898 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8547530 | 0.86 | CYP2A6 (0.75) | CYP2A6HTR2ATRPM8CA2CHEK1 | |
| Hydrochloric Acid SCHEMBL23012014 | 0.85 | CYP2A6 (0.73) | CYP2A6HTR2ATRPM8CA2CHEK1 | |
| SCHEMBL19386570 | 0.80 | CYP2A6 (0.51) | CYP2A6CA2MAPTHDAC10HDAC11 | |
| SCHEMBL8587322 | 0.79 | HTR2A (0.49) | CYP2A6HTR2ATRPM8CA2TAAR1 | |
| SCHEMBL10424393 | 0.79 | CYP2A6 (0.56) | CYP2A6HTR2ATRPM8CA2CHEK1 | |
| SCHEMBL8589080 | 0.79 | HTR2C (0.49) | CYP2A6HTR2ATAAR1HTR5AMAPT | |
| SCHEMBL1530170 | 0.79 | CYP2A6 (0.50) | CYP2A6CA2MAPTHDAC10HDAC11 | |
| Oxalic Acid SCHEMBL8552499 | 0.79 | CYP2A6 (0.63) | CYP2A6HTR2ATRPM8CA2CHEK1 | |
| SCHEMBL1548128 | 0.78 | GPR35 (0.44) | CYP2A6CA2MAPT | |
| SCHEMBL16771642 | 0.76 | CYP2A6 (0.38) | CYP2A6TAAR1HTR5AMAPT |
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 |