Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | GFER | P55789 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.39 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL14334432 | 0.82 | ABCB1 (0.47) | ALDH1A1MAPTRAB9AGFERLMNA | |
| SCHEMBL20142649 | 0.77 | KDM4E (0.45) | ALDH1A1MAPTGFERKDM4EGAA | |
| SCHEMBL30281019 | 0.77 | KDM4E (0.45) | ALDH1A1MAPTGFERKDM4EGAA | |
| SCHEMBL2899027 | 0.77 | DYRK1A (0.46) | ALDH1A1MAPTKDM4EDYRK1AGAA | |
| SCHEMBL21500115 | 0.75 | DYRK1A (0.47) | ALDH1A1KDM4EDYRK1AGAATSHR | |
| SCHEMBL17555901 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTRAB9AGFERKDM4E | |
| SCHEMBL27815937 | 0.75 | CYP1A2 (0.51) | ALDH1A1RAB9AKDM4EGAATSHR | |
| SCHEMBL29086088 | 0.72 | SLC2A1 (0.52) | ALDH1A1MAPTRAB9AGFERLRRK2 | |
| SCHEMBL30585959 | 0.72 | SLC2A1 (0.52) | ALDH1A1MAPTRAB9AGFERLRRK2 | |
| SCHEMBL3946323 | 0.72 | AKT1 (0.49) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1413286-B1 | Dyeing composition comprising at least one heterocyclic oxidation base and at least one substituted 2,3-diaminopyridine as a coupling agent | OREAL (FR) | 2009-04-22 | — | — | EP | claimed |