Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | BCHE | P06276 | 4/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | HTR1A | P08908 | 1/20 | 0.45 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | HRH2 | P25021 | 1/20 | 0.45 |
| ▸ | HTR1D | P28221 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HTR3A | P46098 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4350442 | 0.99 | CYP3A4 (0.56) | CYP3A4BCHECHRM2CHRM4HTR1A | |
| Hydrochloric Acid SCHEMBL4354678 | 0.92 | CYP3A4 (0.54) | CYP3A4BCHECHRM2CHRM4HTR1A | |
| Hydrochloric Acid SCHEMBL4356826 | 0.91 | CYP3A4 (0.55) | CYP3A4BCHECHRM2CHRM4HTR1A | |
| SCHEMBL13892932 | 0.90 | CYP3A4 (0.59) | CYP3A4HRH2LMNAKDM4ETSHR | |
| Hydrochloric Acid SCHEMBL4351910 | 0.89 | CYP3A4 (0.60) | CYP3A4HRH2LMNAKDM4ETSHR | |
| Hydrochloric Acid SCHEMBL4344514 | 0.89 | CYP3A4 (0.58) | CYP3A4HRH2LMNAKDM4ETSHR | |
| SCHEMBL4349307 | 0.89 | CYP3A4 (0.53) | CYP3A4BCHEACHEKDM4EALDH1A1 | |
| SCHEMBL4350330 | 0.88 | CYP3A4 (0.64) | CYP3A4HRH2LMNAKDM4ETSHR | |
| SCHEMBL11000800 | 0.88 | CYP3A4 (0.53) | CYP3A4BCHEACHEKDM4EALDH1A1 | |
| SCHEMBL11001713 | 0.88 | CYP3A4 (0.54) | CYP3A4KDM4EALDH1A1POLBMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496053-B1 | Kappa-opioid receptor agonist comprising a 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO LTD (JP) | 2012-06-20 | — | — | EP | disclosed |
| EP-2042173-A2 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-04-01 | — | — | EP | disclosed |
| US-7410987-B2 | Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |
| US-7410987-B2 | Method for treating pain or pruritis by administering κ-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2008-08-12 | — | — | US | disclosed |