Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 9/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 8/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.42 |
| ▸ | ABCB11 | O95342 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.42 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9827446 | 1.00 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9736375 | 0.99 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL9829230 | 0.99 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| SCHEMBL10446897 | 0.95 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| SCHEMBL9736518 | 0.95 | CYP3A4 (0.61) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| SCHEMBL9735921 | 0.94 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| SCHEMBL10447243 | 0.94 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL10791962 | 0.90 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP1A2ALDH1A1PMP22 | |
| SCHEMBL9737974 | 0.90 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP1A2ALDH1A1PMP22 | |
| Hydrochloric Acid SCHEMBL9828647 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP1A2ALDH1A1KDM4E |
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 |