Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.59 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.59 |
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.59 |
| ▸ | CASP1 | P29466 | 1/20 | 0.59 |
| ▸ | CASP7 | P55210 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.58 |
| ▸ | TOP2A | P11388 | 1/20 | 0.58 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.55 |
| ▸ | DRD3 | P35462 | 2/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL8861179 | 0.85 | ALDH1A1 (0.70) | ALDH1A1CYP2C9CYP2C19USP2CYP1A2 | |
| SCHEMBL5717623 | 0.81 | ALDH1A1 (0.67) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL1966502 | 0.81 | PKM (0.64) | ALDH1A1USP2NPSR1PKMHTT | |
| SCHEMBL9103612 | 0.78 | MAPK1 (0.62) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL9107325 | 0.77 | MAPK1 (0.61) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL1963729 | 0.77 | CFTR (0.57) | ALDH1A1PKMTOP2AOPRK1DRD3 | |
| SCHEMBL6579407 | 0.76 | CFTR (0.63) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL3881848 | 0.75 | MLNR (0.77) | ALDH1A1USP2PKMMAPK1HTT | |
| SCHEMBL2783065 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA | |
| SCHEMBL29724622 | 0.75 | ALDH1A1 (0.59) | ALDH1A1CYP2C9CYP2C19CYP1A2GLA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1087768-A1 | USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION | PHAFAG AKTIENGESELLSCHAFT (LI) | 2001-04-04 | — | — | EP | disclosed |
| WO-1999066931-A1 | USE OF 1-(AMINOALKYL)-3-QUINOXALINE-2-ONE DERIVATIVES FOR THE PREPARATION OF COMPOUNDS HAVING AN ANTIOXIDANT ACTION | PHAFAG AKTIENGESELLSCHAFT (LI) | 1999-12-29 | — | — | WO | disclosed |