Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20835055 | 0.79 | HDAC1 (0.41) | CA12CA9EPHX1CPB2 | |
| SCHEMBL23862923 | 0.77 | — | — | |
| SCHEMBL2735531 | 0.74 | CA12 (0.35) | CA12CA9EPHX1CPB2 | |
| SCHEMBL20643381 | 0.69 | CA12 (0.37) | CA12CA9EPHX1ALDH1A1KMT2A | |
| SCHEMBL23081209 | 0.69 | EPHX1 (0.49) | CA12CA9EPHX1ALDH1A1KDM4E | |
| SCHEMBL23119053 | 0.69 | EPHX1 (0.49) | CA12CA9EPHX1ALDH1A1KDM4E | |
| SCHEMBL23573418 | 0.68 | EPHX1 (0.42) | CA12CA9EPHX1ALDH1A1KDM4E | |
| SCHEMBL22418213 | 0.68 | CA12 (0.35) | CA12CA9EPHX1ALDH1A1KDM4E | |
| SCHEMBL10305534 | 0.68 | ALDH1A1 (0.53) | CA12CA9EPHX1ALDH1A1KDM4E | |
| SCHEMBL14565897 | 0.68 | S1PR4 (0.41) | CA12CA9EPHX1ALDH1A1KDM4E |
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-3046563-B1 | SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS | CALITOR SCIENCES LLC (US) | 2019-05-29 | — | — | EP | disclosed |