Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 2/20 | 0.55 |
| ▸ | CA1 | P00915 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 2/20 | 0.55 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.42 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.39 |
| ▸ | PRKDC | P78527 | 5/20 | 0.39 |
| ▸ | PIK3CD | O00329 | 3/20 | 0.38 |
| ▸ | PIK3CA | P42336 | 3/20 | 0.38 |
| ▸ | PIK3CB | P42338 | 3/20 | 0.38 |
| ▸ | PIK3CG | P48736 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | BRD4 | O60885 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17563709 | 0.88 | CA1 (0.41) | MGLLCA1CA2ALOX5CA4 | |
| SCHEMBL29427625 | 0.87 | ALOX5 (0.60) | MGLLCA1CA2ALOX5CA4 | |
| SCHEMBL3862262 | 0.87 | ALOX5 (0.60) | MGLLCA1CA2ALOX5CA4 | |
| SCHEMBL22151549 | 0.84 | ALOX5 (0.49) | ALOX5PRKDCPIK3CDPIK3CAPIK3CB | |
| SCHEMBL21924758 | 0.84 | ALOX5 (0.50) | MGLLCA1CA2ALOX5TRPV1 | |
| SCHEMBL11713826 | 0.84 | PRKDC (0.47) | ALOX5PRKDCPIK3CDPIK3CAPIK3CB | |
| SCHEMBL14935848 | 0.83 | PRKDC (0.42) | MGLLALOX5PRKDCPIK3CDPIK3CA | |
| SCHEMBL30886452 | 0.83 | PRKDC (0.42) | MGLLALOX5PRKDCPIK3CDPIK3CA | |
| SCHEMBL23018857 | 0.83 | ALOX5 (0.49) | MGLLCA1CA2ALOX5ENPP2 | |
| SCHEMBL20444575 | 0.82 | ALOX5 (0.51) | MGLLCA1CA2ALOX5CA4 |
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-2022229234-A1 | NITROGENOUS HETEROCYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-11-03 | — | — | WO | disclosed |