Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP3 | O14638 | 1/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.36 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.35 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20007323 | 0.85 | LDHA (0.45) | ENPP3LDHAMAP4K4ADORA1ADORA2A | |
| SCHEMBL20007050 | 0.82 | LDHA (0.42) | ENPP3ENPP1LDHAMAP4K4KDM4E | |
| SCHEMBL19933722 | 0.81 | ENPP1 (0.34) | ENPP3ENPP1SERPINE1 | |
| SCHEMBL19933734 | 0.81 | CYP11B1 (0.41) | ENPP3ENPP1CA12CA9SERPINE1 | |
| SCHEMBL19834632 | 0.81 | LDHA (0.49) | ENPP3ENPP1LDHAMAP4K4ADORA1 | |
| SCHEMBL19833441 | 0.79 | LDHA (0.50) | ENPP3ENPP1LDHAMAP4K4KDM4E | |
| SCHEMBL21249210 | 0.78 | CA12 (0.40) | ENPP3ENPP1CA12CA1CA2 | |
| SCHEMBL18015350 | 0.76 | LDHA (0.49) | LDHAMAP4K4ADORA1ADORA2AKDM4E | |
| SCHEMBL23956262 | 0.75 | LDHA (0.49) | ENPP3LDHAIDO1TDO2 | |
| SCHEMBL21125476 | 0.75 | ENPP1 (0.42) | ENPP3ENPP1CA12CA1CA2 |
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-2018054798-A1 | BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2018-03-29 | — | — | WO | disclosed |