Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | TNKS | O95271 | 4/20 | 0.39 |
| ▸ | CSF1R | P07333 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CTSV | O60911 | 1/20 | 0.38 |
| ▸ | CTSL | P07711 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 2/20 | 0.37 |
| ▸ | GLS | O94925 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22946038 | 0.82 | HDAC11 (0.40) | HDAC11CSF1RALDH1A1CDK5CDK5R1 | |
| SCHEMBL4776229 | 0.78 | AOC3 (0.43) | CSF1RALDH1A1GLSCHUKINSR | |
| SCHEMBL22945943 | 0.77 | ALDH1A1 (0.36) | ALDH1A1MAPTPARP1GLSHDAC3 | |
| SCHEMBL4406811 | 0.77 | TNKS (0.38) | HDAC11TNKSCSF1RALDH1A1MAPT | |
| SCHEMBL22946360 | 0.76 | RIPK1 (0.36) | CSF1RALDH1A1CACNA1GCACNA1BCACNA1C | |
| SCHEMBL5002616 | 0.75 | SLC6A4 (0.52) | HDAC11ALDH1A1MAPTCDK5CDK5R1 | |
| SCHEMBL30964962 | 0.74 | GLS (0.40) | ALDH1A1MAPTCTSLGLSCACNA1G | |
| SCHEMBL8266460 | 0.73 | TNKS (0.39) | TNKSCSF1RALDH1A1MAPTPARP1 | |
| SCHEMBL27636818 | 0.73 | CTSV (0.44) | HDAC11CSF1RALDH1A1CDK5CDK5R1 | |
| SCHEMBL22300790 | 0.72 | NAMPT (0.42) | HDAC11PARP1 |
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-2021018298-A1 | INDOLO-SEVEN-MEMBERED ACYLOXIME COMPOUNDS AS PARP INHIBITORS | 南京明德新药研发有限公司 | 2021-02-04 | — | — | WO | disclosed |