Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.42 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.42 |
| ▸ | ELANE | P08246 | 1/20 | 0.42 |
| ▸ | PRTN3 | P24158 | 1/20 | 0.42 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | F2 | P00734 | 1/20 | 0.42 |
| ▸ | VDR | P11473 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28499452 | 0.85 | CA1 (0.52) | CA2ALDH1A1MAPTFAAHPRSS1 | |
| SCHEMBL10180226 | 0.81 | TSHR (0.61) | TP53CA2TAS2R14ALDH1A1MAPT | |
| SCHEMBL24931278 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KDM4E | |
| SCHEMBL24129426 | 0.81 | CA2 (0.59) | TP53CA2ALDH1A1ATML3MBTL1 | |
| SCHEMBL14445952 | 0.76 | MAPT (0.61) | TP53CA2ALDH1A1L3MBTL1MAPT | |
| SCHEMBL4615611 | 0.75 | HTR6 (0.61) | TP53CA2TAS2R14ALDH1A1ATM | |
| Ethylbenzene SCHEMBL1061731 | 0.74 | TP53 (0.67) | TP53CA2TAS2R14ALDH1A1ATM | |
| Ethylbenzene SCHEMBL28022322 | 0.74 | TP53 (0.67) | TP53CA2TAS2R14ALDH1A1ATM | |
| Ethylbenzene SCHEMBL30626118 | 0.74 | TP53 (0.67) | TP53CA2TAS2R14ALDH1A1ATM | |
| Ethylbenzene SCHEMBL10441194 | 0.74 | TP53 (0.67) | TP53CA2TAS2R14ALDH1A1ATM |
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-2021257614-A1 | HETEROCYCLIC INHIBITORS OF ENPP1 | VOLASTRA THERAPEUTICS, INC. (US) | 2021-12-23 | — | — | WO | disclosed |