Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESRRG | P62508 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28481185 | 0.87 | ENPP2 (0.36) | BACE1CA1CA2MGLLCA4 | |
| SCHEMBL28473610 | 0.84 | CA2 (0.38) | BACE1CA1CA2MGLLCA4 | |
| SCHEMBL28458248 | 0.77 | BACE1 (0.30) | BACE1 | |
| SCHEMBL28462056 | 0.75 | CA2 (0.42) | BACE1CA1CA2MGLLCA4 | |
| SCHEMBL28458385 | 0.72 | BACE1 (0.33) | BACE1ESR1ESR2 | |
| SCHEMBL29954090 | 0.63 | ESR2 (0.64) | CA1CA2MGLLESR1ESRRG | |
| SCHEMBL29547555 | 0.63 | ENPP2 (0.58) | CA1CA2MGLLCA4CA6 | |
| SCHEMBL4933 | 0.63 | ENPP2 (0.58) | CA1CA2MGLLCA4CA6 | |
| Phenylboronic Acid SCHEMBL28610016 | 0.61 | ENPP2 (0.70) | CA1CA2MGLLCA4CA6 | |
| SCHEMBL5508 | 0.60 | ORAI1 (0.68) | CA1CA2MGLLCA4CA6 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108586352-B | Organic material and application thereof in organic electroluminescent device | 北京燕化集联光电技术有限公司 | 2020-09-08 | — | — | CN | disclosed |