Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.40 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.40 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.40 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | HRH2 | P25021 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | SCN1A | P35498 | 1/20 | 0.40 |
| ▸ | SCN4A | P35499 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.40 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.40 |
| ▸ | PLAUR | Q03405 | 1/20 | 0.40 |
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 SCHEMBL5107162 | 0.99 | CYP3A4 (0.63) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4348842 | 0.93 | CYP3A4 (0.62) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4356810 | 0.92 | CYP3A4 (0.58) | CYP3A4KDM4ETP53MAPK1TSHR | |
| SCHEMBL13892932 | 0.91 | CYP3A4 (0.59) | CYP3A4KDM4ETP53MAPK1TSHR | |
| SCHEMBL6195756 | 0.91 | CYP3A4 (0.59) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4344514 | 0.90 | CYP3A4 (0.58) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4351910 | 0.90 | CYP3A4 (0.60) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4352258 | 0.90 | CYP3A4 (0.59) | CYP3A4KDM4ETP53MAPK1TSHR | |
| Hydrochloric Acid SCHEMBL4349705 | 0.90 | CYP3A4 (0.59) | CYP3A4KDM4ETP53MAPK1TSHR | |
| SCHEMBL10732874 | 0.89 | CYP3A4 (0.65) | CYP3A4KDM4ESCN1ASCN2ASCN3A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |