Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 4/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.40 |
| ▸ | AADAC | P22760 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9364681 | 0.86 | GPR35 (0.55) | ALDH1A1LMNASMN1; SMN2RECQLKMT2A | |
| SCHEMBL9365098 | 0.85 | RECQL (0.45) | ALDH1A1LMNAMAPK1SMN1; SMN2RECQL | |
| SCHEMBL8903432 | 0.85 | AR (0.41) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL463022 | 0.84 | NPSR1 (0.47) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL27615949 | 0.83 | RORC (0.43) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL9364625 | 0.82 | LMNA (0.48) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL31495022 | 0.82 | AR (0.43) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL9364624 | 0.80 | AR (0.39) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL5557086 | 0.79 | AR (0.42) | ARCYP3A4ALDH1A1ALOX15TSHR | |
| SCHEMBL6607451 | 0.78 | RORC (0.43) | ARCYP3A4ALDH1A1ALOX15TSHR |
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 |