Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.48 |
| ▸ | HTR2C | P28335 | 3/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.39 |
| ▸ | MPO | P05164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.39 |
| ▸ | HTR1B | P28222 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | RAD52 | P43351 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
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) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL8587766 | 0.79 | TAAR1 (0.48) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL8587770 | 0.79 | TAAR1 (0.50) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL73404 | 0.76 | TAAR1 (0.53) | TAAR1HTR2AHTR6 | |
| SCHEMBL8586471 | 0.72 | HTR2C (0.49) | TAAR1HTR2CCYP2A6CYP1A2CYP2D6 | |
| SCHEMBL23171188 | 0.71 | TAAR1 (0.36) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL277679 | 0.71 | CYP2A6 (0.71) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL31547776 | 0.71 | CYP2A6 (0.71) | TAAR1HTR2CCYP2A6HTR2AMPO | |
| SCHEMBL5640436 | 0.70 | KDM4E (0.42) | KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL23149171 | 0.70 | MAPT (0.36) | TAAR1HTR2CCYP2A6HTR2AMPO |
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 1 patent. 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 |