Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | MC4R | P32245 | 3/20 | 0.46 |
| ▸ | MC3R | P41968 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | PPARG | P37231 | 2/20 | 0.45 |
| ▸ | PPARA | Q07869 | 2/20 | 0.45 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.45 |
| ▸ | MC5R | P33032 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4210848 | 0.85 | MEP1B (0.47) | HDAC3HDAC1HDAC2HDAC8MEP1B | |
| SCHEMBL6906964 | 0.83 | NPC1 (0.47) | HDAC3HDAC1HDAC2HDAC8MEP1B | |
| SCHEMBL2442113 | 0.82 | CYP1A2 (0.56) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL29764499 | 0.82 | BCHE (0.59) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL6675829 | 0.82 | BCHE (0.59) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4923923 | 0.81 | PTGES (0.48) | HDAC3HDAC1HDAC2HDAC8SLC6A2 | |
| SCHEMBL5703571 | 0.81 | SLC6A2 (0.52) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4111735 | 0.78 | MC4R (0.50) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL13783935 | 0.77 | HDAC3 (0.62) | ACHEHDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL14417370 | 0.76 | BCHE (0.61) | BCHESLC6A2SLC6A4SLC6A3CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1514112-B1 | METHOD FOR IDENTIFYING AN ALLOSTERIC EFFECTOR OF A RECEPTOR | CENTRE NAT RECH SCIENT (FR) | 2006-09-06 | — | — | EP | disclosed |
| US-20060194259-A1 | Method for isolating an allosteric effector of a receptor | UNIVERSITE LOUIS PASTEUR DE STRASSOURG (FR) | 2006-08-31 | — | — | US | disclosed |