Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 5/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | PIM1 | P11309 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | XDH | P47989 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL18554387 | 0.80 | MAPT (0.39) | PARP1CHEK1PIM1MAPTNPC1 | |
| SCHEMBL8404371 | 0.79 | PARP1 (0.43) | PARP1CHEK1PIM1RPS6KA3MAPT | |
| SCHEMBL20471835 | 0.79 | ALDH1A1 (0.43) | PARP1MAPTARNPC1RAB9A | |
| SCHEMBL4157384 | 0.76 | PARP1 (0.41) | PARP1CHEK1PIM1RPS6KA3MAPT | |
| SCHEMBL18966973 | 0.76 | MAPT (0.43) | PARP1MAPTALDH1A1CSNK2A1KDM4E | |
| SCHEMBL7035006 | 0.76 | PRKCI (0.41) | PARP1MAPTALDH1A1XDHKDM4E | |
| SCHEMBL539264 | 0.76 | PARP1 (0.41) | PARP1CHEK1PIM1RPS6KA3MAPT | |
| SCHEMBL18687816 | 0.76 | PARP1 (0.44) | PARP1CHEK1PIM1RPS6KA3MAPT | |
| SCHEMBL23847839 | 0.76 | MAPT (0.40) | PARP1MAPTTP53HSD17B10ALDH1A1 | |
| SCHEMBL20910116 | 0.76 | MAPT (0.36) | PARP1MAPTNPC1TP53HTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020150675-A1 | COMPOUNDS AND USES THEREOF | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| WO-2020150674-A1 | HETEROCYCLIC COMPOUNDS AS ADENOSINE ANTAGONISTS | NUVATION BIO INC. (US) | 2020-07-23 | — | — | WO | disclosed |
| WO-2019074979-A1 | HETEROCYCLIC COMPOUNDS AND USES THEREOF | GIRAFPHARMA, LLC (US) | 2019-04-18 | — | — | WO | disclosed |
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |