Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 7/20 | 0.41 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 2/20 | 0.35 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 1/20 | 0.33 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.33 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2629409 | 0.83 | ALDH1A1 (0.57) | PARP1PARP2ALDH1A1MAPTCYP1A2 | |
| SCHEMBL2606617 | 0.81 | PARP1 (0.59) | PARP1PARP2 | |
| SCHEMBL16572979 | 0.79 | PLK1 (0.45) | PARP1PARP2MAPTCYP1A2CYP2C9 | |
| SCHEMBL2605000 | 0.78 | ALDH1A1 (0.41) | PARP1PARP2ALDH1A1MAPTCYP1A2 | |
| SCHEMBL14406054 | 0.78 | P2RX7 (0.49) | PARP1PARP2ALDH1A1MAPTCYP1A2 | |
| SCHEMBL4777457 | 0.75 | PARP1 (0.58) | PARP1PARP2ALDH1A1MAPTCYP1A2 | |
| SCHEMBL1041134 | 0.72 | ACHE (0.57) | PARP1ALDH1A1MAPTCYP1A2CYP2C9 | |
| SCHEMBL8404385 | 0.71 | ADORA3 (0.44) | ALDH1A1MAPTCYP1A2KMT2AKDM4E | |
| SCHEMBL13393526 | 0.70 | ALDH1A1 (0.57) | PARP1ALDH1A1MAPTCYP1A2CYP2C9 | |
| SCHEMBL7451226 | 0.68 | NR4A2 (0.46) | PARP1ALDH1A1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3287454-B1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICALS CO (JP) | 2020-09-02 | — | — | EP | disclosed |
| EP-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |