Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | HTT | P42858 | 5/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | MPI | P34949 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9656596 | 0.90 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL11873979 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL3000531 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL8991513 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL11810613 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL9292208 | 0.80 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9ALDH1A1LMNA | |
| SCHEMBL7644622 | 0.80 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT | |
| SCHEMBL21765629 | 0.79 | CYP3A4 (0.68) | CYP3A4CYP2D6CYP2C9MAPTKDM4E | |
| SCHEMBL9358818 | 0.77 | CYP3A4 (0.48) | CYP3A4CYP2D6CYP2C9CA12CA2 | |
| SCHEMBL5529272 | 0.76 | CYP2C9 (0.47) | CYP3A4CYP2D6CYP2C9ALDH1A1HTT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3966631-A | Nematic liquid crystal composition | HITACHI, LTD. (JA) | 1976-06-29 | — | — | US | disclosed |
| US-3965029-A | BIS-(4-ALKOXYBENZAL)-2-METHYL-1,4-PHENYLENEDIAMINE, 4-METHYLBENZAL-4'-BUTYLANILINE | KENT STATE UNIVERSITY (US) | 1976-06-22 | — | — | US | disclosed |
| US-3956169-A | DISPLAY DEVICE | HITACHI, LTD. (JA) | 1976-05-11 | — | — | US | disclosed |