Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 8/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.42 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.38 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 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 | |
|---|---|---|---|---|
| SCHEMBL9827453 | 1.00 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL10792003 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL9736378 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL9829237 | 0.99 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| SCHEMBL10446899 | 0.97 | CYP3A4 (0.45) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| SCHEMBL10447244 | 0.97 | CYP3A4 (0.44) | CYP3A4CYP2D6SMPD1KCNH2TMEM97 | |
| Hydrochloric Acid SCHEMBL10791965 | 0.90 | CYP3A4 (0.45) | CYP3A4CYP2D6KCNH2SIGMAR1MEN1 | |
| SCHEMBL9737984 | 0.90 | CYP3A4 (0.46) | CYP3A4CYP2D6SMPD1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL10793194 | 0.90 | CYP3A4 (0.42) | CYP3A4CYP2D6SMPD1KCNH2MEN1 | |
| SCHEMBL9832224 | 0.90 | SMPD1 (0.43) | CYP3A4CYP2D6SMPD1ATMADRB2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5120759-A | TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY | HOFFMANN-LA ROCHE INC. (US) | 1992-06-09 | — | — | US | disclosed |
| EP-0388739-A1 | Tetrahydronaphthalene derivates | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1990-09-26 | — | — | EP | disclosed |