Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.44 |
| ▸ | FNTB | P49356 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 2/20 | 0.44 |
| ▸ | KLK7 | P49862 | 1/20 | 0.44 |
| ▸ | PRKCA | P17252 | 1/20 | 0.44 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28918870 | 1.00 | GPR88 (0.53) | GPR88L3MBTL1CNR2CNR1ACP3 | |
| SCHEMBL28601780 | 0.92 | KMT2A (0.50) | GPR88ALDH1A1KMT2ALMNAHSD17B10 | |
| SCHEMBL28594122 | 0.88 | L3MBTL1 (0.46) | GPR88L3MBTL1CNR2CNR1FNTA | |
| SCHEMBL28609046 | 0.88 | L3MBTL1 (0.46) | GPR88L3MBTL1CNR2CNR1FNTA | |
| SCHEMBL28608660 | 0.87 | L3MBTL1 (0.49) | GPR88L3MBTL1CNR1FNTAFNTB | |
| SCHEMBL28596422 | 0.87 | KMT2A (0.43) | GPR88FNTAFNTBKLK7ALDH1A1 | |
| SCHEMBL28601786 | 0.87 | PRKCA (0.58) | PRKCAPRKCDSMN1; SMN2 | |
| SCHEMBL28595878 | 0.85 | MTNR1A (0.46) | GPR88CYP3A4CYP2D6 | |
| SCHEMBL28601751 | 0.85 | MTNR1A (0.46) | GPR88CYP3A4CYP2D6 | |
| SCHEMBL28596538 | 0.81 | TDP1 (0.43) | L3MBTL1ACP3KMT2AMEN1CYP2D6 |
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-112898213-A | Polysubstituted 1, 3-diene supported ring compound and application thereof | 中国科学院上海药物研究所 | 2021-06-04 | — | — | CN | disclosed |