Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 12/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 9/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
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 SCHEMBL9827624 | 0.99 | CYP3A4 (0.56) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL10798615 | 0.91 | CYP3A4 (0.61) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| SCHEMBL9736708 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| SCHEMBL9827446 | 0.90 | CYP3A4 (0.56) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL9736375 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL9829230 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL10798388 | 0.89 | CYP3A4 (0.55) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| SCHEMBL9737628 | 0.89 | CYP3A4 (0.65) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL10797041 | 0.88 | CYP3A4 (0.64) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B | |
| Hydrochloric Acid SCHEMBL10796518 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2D6CACNA1HMAPTCACNA1B |
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 |
|---|---|---|---|---|---|---|---|
| US-5120759-A | TETRAHYDRONAPHTHALENE DERIVATIVES FOR IMPROVING SHORT-TERM MEMORY | HOFFMANN-LA ROCHE INC. (US) | 1992-06-09 | — | — | US | disclosed |