Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.33 |
| ▸ | GALR3 | O60755 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 2/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL10815599 | 0.83 | KDM4E (0.35) | ALDH1A1KDM4EGALR3GLAHPGD | |
| SCHEMBL7701711 | 0.76 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL20553556 | 0.76 | ALDH1A1 (0.35) | ALDH1A1KDM4EHPGDLMNATSHR | |
| SCHEMBL29776882 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KDM4EGALR3HPGDLMNA | |
| SCHEMBL10813133 | 0.76 | ALDH1A1 (0.34) | ALDH1A1KDM4EGALR3HPGDLMNA | |
| SCHEMBL11077386 | 0.69 | KDM4E (0.38) | ALDH1A1KDM4EGALR3HPGDLMNA | |
| SCHEMBL10815595 | 0.69 | KDM4E (0.31) | ALDH1A1KDM4E | |
| SCHEMBL10414347 | 0.69 | ALDH1A1 (0.43) | ALDH1A1KDM4EGLAHPGDHSD17B10 | |
| SCHEMBL1288337 | 0.69 | ALDH1A1 (0.33) | ALDH1A1KDM4EHPGDLMNA | |
| SCHEMBL28112184 | 0.68 | ALDH1A1 (0.40) | ALDH1A1HPGDLMNATSHRHTT |
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 |
|---|---|---|---|---|---|---|---|
| US-4438266-A | Triazolopyrazinamines useful as adjuncts to radiation therapy | MERCK & CO., INC. (US) | 1984-03-20 | — | — | US | disclosed |
| EP-0096125-A1 | Amino and amido derivatives of chloro nitro amino and alkylamino pyrazines useful as adjuncts to radiation therapy | MERCK & CO. INC. (US) | 1983-12-21 | — | — | EP | disclosed |
| US-4416882-A | Di(alkylamino) derivatives of chloronitropyrazines useful as adjuncts to radiation therapy | MERCK & CO., INC. (US) | 1983-11-22 | — | — | US | disclosed |