Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | FDPS | P14324 | 2/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | THPO | P40225 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4505477 | 0.90 | CYP3A4 (0.32) | CYP3A4MAPTALDH1A1HPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL6273789 | 0.89 | CYP3A4 (0.44) | CYP3A4FDPSMCHR1KMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL6216834 | 0.88 | CYP3A4 (0.34) | CYP3A4MAPTKMT2AMEN1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL4509026 | 0.87 | CYP3A4 (0.31) | CYP3A4MAPTKMT2AALDH1A1TSHR | |
| SCHEMBL4494670 | 0.85 | TP53 (0.33) | CYP3A4MAPTALDH1A1HPGDMAPK1 | |
| SCHEMBL4522630 | 0.83 | CYP3A4 (0.32) | CYP3A4MAPTALDH1A1HPGDMAPK1 | |
| Hydrochloric Acid SCHEMBL4515785 | 0.83 | F2 (0.32) | CYP3A4MAPTALDH1A1HPGDMAPK1 | |
| SCHEMBL4351902 | 0.80 | CYP3A4 (0.51) | CYP3A4FDPSMAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL5107152 | 0.80 | CYP3A4 (0.51) | CYP3A4FDPSMAPTKMT2AMEN1 | |
| SCHEMBL6217035 | 0.78 | MAOB (0.36) | CYP3A4MAPTKMT2AMEN1ALDH1A1 |
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 |