Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 9/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | LATS1 | O95835 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22065255 | 0.86 | CYP1A2 (0.54) | PDE5ACYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL22066416 | 0.86 | PDE5A (0.49) | PDE5ACYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL22065250 | 0.81 | USP2 (0.43) | PDE5ACYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL22065369 | 0.80 | CYP1A2 (0.48) | PDE5ACYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL22024587 | 0.80 | KIF11 (0.45) | TSHRLMNACLK4ALDH1A1ABCG2 | |
| SCHEMBL22025047 | 0.78 | KDR (0.49) | CYP1A2CYP3A4TSHRLMNACLK4 | |
| SCHEMBL22065251 | 0.77 | MEN1 (0.44) | PDE5ACYP1A2CYP3A4LMNAALDH1A1 | |
| SCHEMBL22025050 | 0.75 | KDM4E (0.46) | CYP1A2CYP3A4LMNAALDH1A1ABCG2 | |
| SCHEMBL22065252 | 0.71 | USP2 (0.46) | PDE5ACYP1A2CYP3A4TSHRUSP2 | |
| SCHEMBL22065377 | 0.69 | MEN1 (0.38) | PDE5ACYP1A2CYP3A4TSHRLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-3663293-A1 | SUBSTITUTED PENTA- AND HEXA-HETEROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, DRUG COMBINATION AND USE THEREOF | Xiamen University (CN) | 2020-06-10 | — | — | EP | disclosed |