Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 2/20 | 0.36 |
| ▸ | WNT3A | P56704 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 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 | |
|---|---|---|---|---|
| SCHEMBL29669545 | 0.92 | PARP1 (0.53) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL8481275 | 0.82 | PARP1 (0.62) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL25166008 | 0.78 | PARP1 (0.49) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL1142943 | 0.77 | PARP1 (0.37) | PARP1ALDH1A1KDM4ECTNNB1WNT3A | |
| SCHEMBL7335337 | 0.75 | HTR3A (0.43) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL7395597 | 0.75 | PARP1 (0.40) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL9867616 | 0.75 | PARP1 (0.40) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| Hydrochloric Acid SCHEMBL11514098 | 0.74 | HTR3A (0.43) | PARP1ALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL14824890 | 0.74 | PARP1 (0.33) | PARP1CTNNB1WNT3ANOTUMHTR1A | |
| SCHEMBL28022679 | 0.73 | PARP1 (0.34) | PARP1NOTUM |
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 |
|---|---|---|---|---|---|---|---|
| CN-104774188-A | Benzohetercyclic or benzoheteraromatic-cyclic derivative and preparation method and application thereof in medicines | JIANGSU HENGRUI MEDICINE CO | 2015-07-15 | — | — | CN | disclosed |