Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 4/20 | 0.41 |
| ▸ | MAOB | P27338 | 4/20 | 0.39 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | MIF | P14174 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.36 |
| ▸ | PON1 | P27169 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL2083685 | 0.82 | GRM2 (0.40) | GRM2MAOBADORA3MEN1NPC1 | |
| SCHEMBL26328449 | 0.82 | CYP1A2 (0.46) | MAOBADORA3MEN1NPC1RAB9A | |
| SCHEMBL2082821 | 0.81 | TDP1 (0.40) | GRM2MAOBADORA3MEN1NPC1 | |
| SCHEMBL4585214 | 0.81 | CA12 (0.43) | GRM2MAOBADORA3MEN1NPC1 | |
| SCHEMBL27769559 | 0.80 | USP7 (0.42) | ADORA3 | |
| SCHEMBL28884088 | 0.79 | ACACA (0.46) | GRM2MAOBMEN1NPC1RAB9A | |
| SCHEMBL5476223 | 0.79 | KDM4E (0.42) | MAOBADORA3MEN1NPC1RAB9A | |
| SCHEMBL1933898 | 0.79 | KDM4E (0.42) | MAOBADORA3MEN1NPC1RAB9A | |
| SCHEMBL22019681 | 0.75 | — | — | |
| SCHEMBL2081479 | 0.75 | GRM2 (0.35) | GRM2MAOBADORA3MEN1NPC1 |
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-106565408-B | 1,5, 9-trisubstituted coronene compound and synthesis method thereof | 上海大学 | 2019-12-06 | — | — | CN | disclosed |