Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | FFAR1 | O14842 | 11/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | GNA15 | P30679 | 1/20 | 0.36 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16410702 | 0.90 | LTA4H (0.35) | KDM4EALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL16410832 | 0.80 | KDM4E (0.35) | KDM4EALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL17757421 | 0.73 | FFAR1 (0.39) | KDM4EALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL17757173 | 0.72 | FFAR1 (0.41) | KDM4EALDH1A1HTTSMN1; SMN2FFAR1 | |
| SCHEMBL17757367 | 0.71 | FFAR1 (0.38) | KDM4EALDH1A1HTTSMN1; SMN2MEN1 | |
| SCHEMBL17757222 | 0.71 | KDM4E (0.41) | KDM4EALDH1A1HTTSMN1; SMN2FFAR1 | |
| SCHEMBL16410740 | 0.71 | MEN1 (0.35) | MEN1KMT2A | |
| SCHEMBL16410801 | 0.71 | P2RX7 (0.31) | — | |
| SCHEMBL16410799 | 0.70 | LMNA (0.32) | KDM4EALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL16410586 | 0.69 | MYC (0.31) | — |
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 |