Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 | P30556 | 6/20 | 0.47 |
| ▸ | AGTR2 | P50052 | 6/20 | 0.47 |
| ▸ | PDE4A | P27815 | 3/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.46 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2212262 | 0.93 | PDE4A (0.48) | AGTR1AGTR2PDE4APDE4BPDE4C | |
| SCHEMBL28273846 | 0.93 | CYP19A1 (0.47) | CYP19A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28273845 | 0.93 | CYP19A1 (0.47) | CYP19A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28273840 | 0.92 | CYP19A1 (0.46) | AGTR1AGTR2CYP19A1KDM4ECYP1A2 | |
| SCHEMBL2215730 | 0.90 | ALDH1A1 (0.43) | KDM4E | |
| SCHEMBL2216828 | 0.89 | PGR (0.46) | KDM4E | |
| SCHEMBL2214735 | 0.89 | CYP19A1 (0.47) | CYP19A1KDM4ECYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28273849 | 0.88 | KDM4E (0.52) | AGTR1AGTR2KDM4EHSD17B10 | |
| SCHEMBL28273854 | 0.88 | KDM4E (0.52) | AGTR1AGTR2KDM4EHSD17B10 | |
| SCHEMBL28869106 | 0.87 | KDM4E (0.51) | AGTR1AGTR2KDM4EHSD17B10 |
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-1634881-B1 | HARMINE DERIVATIVES, INTERMEDIATES USED IN THEIR PREPARATION, PREPARATION PROCESSES AND USE THEREOF | XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD (CN) | 2011-07-27 | — | — | EP | claimed |