Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7868839 | 0.84 | HTT (0.63) | CA2ALDH1A1KMT2ANPSR1HTT | |
| SCHEMBL24129456 | 0.82 | CA2 (0.50) | CA2ALDH1A1ATML3MBTL1KMT2A | |
| SCHEMBL24129423 | 0.82 | KMT2A (0.46) | CA2ALDH1A1ATML3MBTL1KMT2A | |
| SCHEMBL24931334 | 0.82 | NPSR1 (0.52) | CA2ALDH1A1KMT2ANPSR1HTT | |
| SCHEMBL24129426 | 0.79 | CA2 (0.59) | CA2ALDH1A1ATML3MBTL1KMT2A | |
| SCHEMBL24129791 | 0.79 | CA2 (0.55) | CA2ALDH1A1L3MBTL1KMT2ACA1 | |
| SCHEMBL24129790 | 0.78 | KDM4E (0.45) | CA2ALDH1A1ATML3MBTL1KMT2A | |
| SCHEMBL24129455 | 0.74 | TP53 (0.50) | CA2ALDH1A1ATML3MBTL1CA1 | |
| SCHEMBL23049594 | 0.73 | MMP2 (0.59) | CA2ALDH1A1 | |
| SCHEMBL23554860 | 0.71 | CA2 (0.59) | CA2ALDH1A1L3MBTL1KMT2AHTT |
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 |