Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ICMT | O60725 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17757053 | 0.91 | DRD2 (0.41) | DRD2DRD4KDM4ETP53TSHR | |
| SCHEMBL16410716 | 0.82 | ACAT2 (0.36) | TP53KMT2ALMNAHTTSMN1; SMN2 | |
| SCHEMBL17757881 | 0.81 | DRD2 (0.42) | DRD2DRD4KMT2ALMNAMAPK1 | |
| SCHEMBL17757505 | 0.80 | DRD2 (0.41) | DRD2DRD4KMT2ALMNAMAPK1 | |
| SCHEMBL17757747 | 0.80 | ACAT2 (0.41) | DRD2DRD4KDM4EKMT2ALMNA | |
| SCHEMBL16410745 | 0.77 | TAAR1 (0.35) | KDM4EKMT2AMEN1MAPTTAAR1 | |
| SCHEMBL16410722 | 0.76 | OGA (0.32) | KDM4ETSHRKMT2ALMNASMN1; SMN2 | |
| SCHEMBL17757020 | 0.76 | ACAT2 (0.39) | KMT2ASMN1; SMN2MEN1ICMTCYP2D6 | |
| SCHEMBL16410717 | 0.76 | ICMT (0.38) | ICMT | |
| SCHEMBL16410791 | 0.76 | ACAT2 (0.33) | SMN1; SMN2TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015007730-A1 | SPIROQUINOXALINE DERIVATIVES AS INHIBITORS OF NON-APOPTOTIC REGULATED CELL-DEATH | Helmholtz Zentrum München - Deutsches Forschungszentrum für Gesundheit und Umwelt (GmbH) (DE) | 2015-01-22 | — | — | WO | disclosed |