Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CMA1 | P23946 | 2/20 | 0.43 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.37 |
| ▸ | RPA1 | P27694 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28078365 | 0.91 | PDE5A (0.40) | CMA1PDE5AKCNH2GRM1GFER | |
| SCHEMBL28078523 | 0.89 | PDE5A (0.39) | CMA1PDE5AKCNH2GRM1GFER | |
| SCHEMBL28078543 | 0.89 | KDM4E (0.45) | KDM4EMAPTNPSR1ABCG2ALDH1A1 | |
| SCHEMBL28078423 | 0.88 | PTGS2 (0.40) | MAPTABCG2PTGS2PTGS1 | |
| SCHEMBL28078534 | 0.86 | CNR1 (0.40) | KDM4EMAPTPTGS2ALDH1A1HPGD | |
| SCHEMBL28078364 | 0.82 | ATM (0.40) | ABCG2PTGS2ALDH1A1TP53 | |
| SCHEMBL28078505 | 0.81 | GFER (0.50) | GFERPTPN11KDM4EMAPTALDH1A1 | |
| SCHEMBL28078528 | 0.81 | JAK1 (0.36) | MAPTPTGS2ALDH1A1HPGDPTGS1 | |
| SCHEMBL28078369 | 0.81 | RPA1 (0.39) | MAPTALDH1A1RPA1 | |
| SCHEMBL28078548 | 0.79 | ABCB1 (0.37) | MAPTABCG2PTGS2PDE11APTGS1 |
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-105646322-A | Perfluoroalkyl pyrrole derivative and synthesis method thereof | 上海大学 | 2016-06-08 | — | — | CN | disclosed |