Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.41 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10446899 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| SCHEMBL9736711 | 0.97 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| SCHEMBL9827453 | 0.97 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| Hydrochloric Acid SCHEMBL10792003 | 0.96 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| Hydrochloric Acid SCHEMBL9736378 | 0.96 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| Hydrochloric Acid SCHEMBL9829237 | 0.96 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 | |
| Hydrochloric Acid SCHEMBL10791965 | 0.87 | CYP3A4 (0.45) | CYP3A4CYP2D6ABCB1KCNH2SIGMAR1 | |
| SCHEMBL9737984 | 0.87 | CYP3A4 (0.46) | CYP3A4CYP2D6SMPD1 | |
| Hydrochloric Acid SCHEMBL10793194 | 0.87 | CYP3A4 (0.42) | CYP3A4CYP2D6SMPD1ABCB1KCNH2 | |
| SCHEMBL9832224 | 0.87 | SMPD1 (0.43) | CYP3A4CYP2D6SMPD1SLC2A1ABCB1 |
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-0388739-A1 | Tetrahydronaphthalene derivates | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1990-09-26 | — | — | EP | disclosed |