Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 8/20 | 0.68 |
| ▸ | CA1 | P00915 | 4/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.57 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | XBP1 | P17861 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28349631 | 0.92 | CA2 (0.58) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL27962373 | 0.92 | CA2 (0.58) | CA2CA1MAPK1SLC1A2SLC1A1 | |
| SCHEMBL11416554 | 0.87 | CA2 (0.73) | CA2CA1MAPK1ATMGAA | |
| SCHEMBL21924959 | 0.87 | CA2 (0.73) | CA2CA1MAPK1ATMGAA | |
| SCHEMBL27860106 | 0.84 | CA2 (0.48) | CA2CA1MAPK1ATMTSHR | |
| SCHEMBL631533 | 0.83 | CA2 (0.73) | CA2CA1MAPK1ATMGAA | |
| SCHEMBL240950 | 0.83 | CA2 (0.73) | CA2CA1MAPK1ATMGAA | |
| SCHEMBL28703820 | 0.82 | CA2 (0.47) | CA2CA1MAPK1ATMGAA | |
| SCHEMBL11354966 | 0.82 | — | — | |
| SCHEMBL12987850 | 0.82 | CA2 (0.66) | CA2CA1MAPK1ATMGAA |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113402383-A | Method for synthesizing 2-ethylcaproic acid chloride by reacting 2-ethylhexanoic acid with phosgene | 上海祖玥新材料科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| CN-113402383-A | Method for synthesizing 2-ethylcaproic acid chloride by reacting 2-ethylhexanoic acid with phosgene | 上海祖玥新材料科技有限公司 | 2021-09-17 | — | — | CN | disclosed |
| US-20070004889-A1 | Polymers based on n,n-diallylamine derivatives their production and use | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-04 | — | — | US | disclosed |
| WO-1994005642-A1 | INDAZOLE DERIVATIVES | CIBA-GEIGY AG (CH) | 1994-03-17 | — | — | WO | disclosed |
| US-4302569-A | ADDITION POLYMERIZATION INITIATOR | ARGUS CHEMICAL CORPORATION (US) | 1981-11-24 | — | — | US | disclosed |