Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.30 |
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 SCHEMBL4345229 | 0.99 | CYP3A4 (0.41) | CYP3A4ALDH1A1TDP1L3MBTL1MEN1 | |
| SCHEMBL3158816 | 0.93 | CYP3A4 (0.43) | CYP3A4ALDH1A1L3MBTL1MEN1MAPT | |
| SCHEMBL3164557 | 0.93 | CYP3A4 (0.43) | CYP3A4ALDH1A1L3MBTL1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL3165106 | 0.92 | CYP3A4 (0.43) | CYP3A4ALDH1A1L3MBTL1MEN1MAPT | |
| Hydrochloric Acid SCHEMBL4349326 | 0.92 | CYP3A4 (0.42) | CYP3A4ALDH1A1L3MBTL1MEN1MAPT | |
| SCHEMBL3173736 | 0.90 | CYP3A4 (0.41) | CYP3A4L3MBTL1MAPT | |
| Hydrochloric Acid SCHEMBL3175034 | 0.90 | CYP3A4 (0.41) | CYP3A4L3MBTL1MAPT | |
| SCHEMBL3167858 | 0.90 | CYP3A4 (0.43) | CYP3A4ALDH1A1L3MBTL1MEN1MAPT | |
| SCHEMBL18857852 | 0.90 | CYP3A4 (0.43) | CYP3A4ALDH1A1TDP1L3MBTL1MEN1 | |
| Hydrochloric Acid SCHEMBL4344541 | 0.89 | CYP3A4 (0.40) | CYP3A4TP53MDM2 |
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 3 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 |
| 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 |