Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | SCN1A | P35498 | 1/20 | 0.30 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.30 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL4505476 | 0.90 | CYP3A4 (0.37) | CYP3A4 | |
| Hydrochloric Acid SCHEMBL6216831 | 0.88 | CYP3A4 (0.39) | CYP3A4TSHRPTGDR2SMN1; SMN2KDM4E | |
| Hydrochloric Acid SCHEMBL4509024 | 0.88 | CYP3A4 (0.35) | CYP3A4 | |
| SCHEMBL4494668 | 0.85 | CYP3A4 (0.37) | CYP3A4ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4515783 | 0.84 | CYP3A4 (0.36) | CYP3A4ALDH1A1 | |
| SCHEMBL6217033 | 0.80 | ALDH1A1 (0.34) | CYP3A4TSHRALDH1A1LMNAMAPK1 | |
| SCHEMBL4351902 | 0.79 | CYP3A4 (0.51) | CYP3A4TSHRALDH1A1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL5107152 | 0.78 | CYP3A4 (0.51) | CYP3A4TSHRALDH1A1LMNAMAPK1 | |
| Hydrochloric Acid SCHEMBL4348842 | 0.77 | CYP3A4 (0.62) | CYP3A4TSHRALDH1A1LMNAMAPK1 | |
| SCHEMBL9965789 | 0.75 | CYP3A4 (0.39) | CYP3A4MCHR1TSHRPTGDR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2042173-A2 | Kappa-opioid receptor agonist comprising 2-phenylbenzothiazoline derivative | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2009-04-01 | — | — | EP | disclosed |