Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.39 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.39 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.39 |
| ▸ | CA5A | P35218 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP8 | P22894 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL22908217 | 0.79 | CA1 (0.50) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL790380 | 0.78 | CA1 (0.41) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL9651707 | 0.75 | CA1 (0.39) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL6555604 | 0.75 | CA1 (0.48) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL8962569 | 0.74 | CA1 (0.41) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL25888644 | 0.69 | CA1 (0.50) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL1343355 | 0.69 | CA1 (0.50) | CA1CA2PRSS1PRSS2PRSS3 | |
| SCHEMBL18480131 | 0.68 | — | — | |
| SCHEMBL11917653 | 0.67 | CA2 (0.54) | CA1CA2PRSS1PRSS2PRSS3 | |
| Phenylmethanesulfonic Acid SCHEMBL30380378 | 0.67 | CA1 (0.44) | CA1CA2PRSS1PRSS2PRSS3 |
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-2897607-B1 | INHIBITORS OF BETA-HYDROLASE FOR TREATMENT OF CANCER | RHODE ISLAND HOSPITAL (US) | 2017-11-22 | — | — | EP | disclosed |