Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.38 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.38 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.34 |
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL28066993 | 0.96 | PRSS1 (0.42) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL7779144 | 0.96 | PRSS1 (0.42) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL7821746 | 0.96 | ALDH1A1 (0.38) | CA12CA9RECQLMYCCA2 | |
| SCHEMBL7784189 | 0.94 | PRSS1 (0.41) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL31186825 | 0.87 | ALDH1A1 (0.43) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL7783848 | 0.87 | ALDH1A1 (0.43) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL15208029 | 0.86 | ALDH1A1 (0.43) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL7786031 | 0.84 | PRSS1 (0.37) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL7787182 | 0.83 | PRSS1 (0.36) | CA12CA9PRSS1PRSS2PRSS3 | |
| SCHEMBL5177185 | 0.83 | PRSS1 (0.36) | CA12CA9PRSS1PRSS2PRSS3 |
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 |
|---|---|---|---|---|---|---|---|
| US-4086054-A | Concentrated storage-stable solutions of alkylbenzenesulfonates of basic dyes | BASF AKTIENGESELLSCHAFT (DT) | 1978-04-25 | — | — | US | disclosed |