Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | GLA | P06280 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | HTR3E | A5X5Y0 | 6/20 | 0.41 |
| ▸ | HTR3B | O95264 | 6/20 | 0.41 |
| ▸ | HTR3A | P46098 | 6/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 6/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 6/20 | 0.41 |
| ▸ | HTR1A | P08908 | 5/20 | 0.41 |
| ▸ | HTR2C | P28335 | 5/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1016624 | 0.76 | GABRA5 (0.36) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL1078583 | 0.73 | KDM4E (1.00) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL29673192 | 0.73 | KDM4E (1.00) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL1370460 | 0.72 | PARP1 (0.42) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL31386896 | 0.70 | ALDH1A1 (0.45) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL7403844 | 0.70 | ALDH1A1 (0.41) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL31251989 | 0.69 | KDM4E (0.66) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL15471902 | 0.68 | HRH4 (0.45) | KDM4EALDH1A1HSD17B10MAPTMEN1 | |
| SCHEMBL29229044 | 0.68 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10HPGDGLA | |
| SCHEMBL29126972 | 0.68 | KDM4E (0.54) | KDM4EALDH1A1HSD17B10HPGDGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-9187497-B2 | Substituted pyrido[3,2-e]pyrrolo[1,2-a]pyrazines as inhibitors of poly(ADP-ribose)polymerase (PARP) | TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) | 2015-11-17 | — | — | US | disclosed |