Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.53 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.53 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.53 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 2/20 | 0.48 |
| ▸ | HPD | P32754 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.46 |
| ▸ | THRB | P10828 | 2/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9364653 | 0.90 | KCNMA1 (0.58) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9364671 | 0.85 | GPR35 (0.60) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8139482 | 0.82 | TDP1 (0.46) | ALDH1A1MEN1KMT2APKMMAPT | |
| SCHEMBL9365470 | 0.81 | MAPT (0.54) | ALDH1A1KMT2ACYP1A2CYP3A4MAPT | |
| SCHEMBL9365562 | 0.80 | L3MBTL1 (0.59) | ALDH1A1PKMMAPTMAPK1 | |
| SCHEMBL116789 | 0.79 | MAPT (0.53) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL9365430 | 0.78 | GPR35 (0.45) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL9364712 | 0.77 | SMN1; SMN2 (0.67) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL117562 | 0.77 | AKR1B1 (0.56) | AKR1B1AKR1C4AKR1C3AKR1C2AKR1C1 | |
| SCHEMBL8903432 | 0.77 | AR (0.41) | ALDH1A1MEN1KMT2ACYP1A2CYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0377112-B1 | Quinoxaline compounds and their preparation and use | NOVO NORDISK AS (DK) | 1994-08-24 | — | — | EP | disclosed |
| US-5061706-A | 2,3-QUINOXALINEDIONES FOR USE AS NEUROLEPTICS | NOVO NORDISK A/S (DK) | 1991-10-29 | — | — | US | disclosed |
| EP-0377112-A1 | Quinoxaline compounds and their preparation and use | NOVO NORDISK A/S (DK) | 1990-07-11 | — | — | EP | disclosed |