Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.50 |
| ▸ | PARP1 | P09874 | 1/20 | 0.50 |
| ▸ | TDP2 | O95551 | 3/20 | 0.42 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.42 |
| ▸ | TGM2 | P21980 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.38 |
| ▸ | S100A4 | P26447 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA4 | P22748 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23277636 | 0.87 | TDP2 (0.46) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL24509888 | 0.83 | PARP10 (0.46) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL24510107 | 0.81 | PARP10 (0.49) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL30285264 | 0.80 | PARP10 (0.50) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL21332980 | 0.80 | PARP10 (0.50) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL21351074 | 0.80 | PARP10 (0.50) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL24510632 | 0.78 | PARP10 (0.47) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL24509680 | 0.78 | PARP10 (0.47) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL24510668 | 0.76 | PARP10 (0.46) | PARP10PARP1TDP2PARP11TGM2 | |
| SCHEMBL29914809 | 0.75 | CA12 (0.42) | PARP10PARP1TDP2PARP11S100A4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3572401-B1 | ASK1 INHIBITOR AND PREPARATION METHOD AND USE THEREOF | FUJIAN COSUNTER PHARMACEUTICAL CO LTD (CN) | 2021-09-29 | — | — | EP | disclosed |