Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRG | P62508 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.59 |
| ▸ | CA12 | O43570 | 2/20 | 0.59 |
| ▸ | EGFR | P00533 | 3/20 | 0.50 |
| ▸ | ERBB2 | P04626 | 3/20 | 0.50 |
| ▸ | ESRRB | O95718 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL961596 | 0.84 | ESRRG (0.57) | ESRRGCA9EGFRERBB2CA1 | |
| SCHEMBL5909057 | 0.81 | CA12 (0.58) | CA9CA12ALDH1A1KDM4EMAPT | |
| SCHEMBL13753321 | 0.80 | ALDH1A1 (0.61) | CA2ALDH1A1KDM4EMAPTHTT | |
| SCHEMBL2498524 | 0.80 | EGFR (0.57) | ESRRGEGFRERBB2ALDH1A1MAPT | |
| SCHEMBL10690897 | 0.80 | EGFR (0.57) | ESRRGCA9CA12EGFRERBB2 | |
| SCHEMBL22926070 | 0.78 | MAPT (0.57) | ESRRGEGFRERBB2ALDH1A1KDM4E | |
| SCHEMBL472318 | 0.78 | HCAR3 (0.57) | ESRRGCA9CA12EGFRERBB2 | |
| SCHEMBL8649876 | 0.77 | MEN1 (0.51) | ESRRGCA9CA12EGFRERBB2 | |
| SCHEMBL9321329 | 0.77 | EGFR (0.54) | ESRRGEGFRERBB2ALDH1A1MAPT | |
| SCHEMBL14350257 | 0.76 | KDM4E (0.64) | CA9CA12NAMPTALDH1A1KDM4E |
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-2010085570-A1 | Poly (ADP-Ribose) Polymerase (PARP) Inhibitors | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-07-29 | — | — | WO | disclosed |