Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.41 |
| ▸ | GAA | P10253 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | MEN1 | O00255 | 6/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL11862057 | 0.81 | CYP3A4 (0.56) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL3000531 | 0.81 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL9656596 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL8991513 | 0.78 | CYP3A4 (0.52) | CYP3A4CYP2D6CYP2C9GAAMAPT | |
| SCHEMBL9292208 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL11810613 | 0.77 | CYP3A4 (0.51) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL7188788 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2D6CYP2C9ALDH1A1KDM4E | |
| SCHEMBL21299300 | 0.76 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9MAPTKDM4E | |
| SCHEMBL7644622 | 0.76 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9KMT2AGAA | |
| SCHEMBL21765629 | 0.75 | CYP3A4 (0.68) | CYP3A4CYP2D6CYP2C9MAPTKDM4E |
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-3965029-A | BIS-(4-ALKOXYBENZAL)-2-METHYL-1,4-PHENYLENEDIAMINE, 4-METHYLBENZAL-4'-BUTYLANILINE | KENT STATE UNIVERSITY (US) | 1976-06-22 | — | — | US | disclosed |