Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL23978712 | 0.76 | CA1 (0.43) | CA1P2RX7ALDH1A1 | |
| SCHEMBL5690888 | 0.73 | CA1 (0.52) | CA1P2RX7ALDH1A1 | |
| SCHEMBL25695856 | 0.72 | CA1 (0.46) | CA1P2RX7ALDH1A1 | |
| SCHEMBL20866407 | 0.67 | — | — | |
| SCHEMBL22861813 | 0.67 | CA1 (0.34) | CA1P2RX7ALDH1A1 | |
| SCHEMBL20711252 | 0.66 | CA1 (0.44) | CA1P2RX7ALDH1A1 | |
| SCHEMBL14453257 | 0.66 | CA1 (0.44) | CA1P2RX7ALDH1A1 | |
| SCHEMBL24897471 | 0.66 | KDM1A (0.36) | KDM1A | |
| SCHEMBL9749026 | 0.66 | CA1 (0.40) | CA1 | |
| SCHEMBL9749018 | 0.66 | CA1 (0.40) | CA1 |
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-2016022312-A1 | HETEROCYCLIC KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2016-02-11 | — | — | WO | disclosed |