Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD52 | P43351 | 3/20 | 0.58 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.58 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.58 |
| ▸ | HSPE1 | P61604 | 1/20 | 0.58 |
| ▸ | ACHE | P22303 | 4/20 | 0.57 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.57 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | ESR1 | P03372 | 1/20 | 0.57 |
| ▸ | PGR | P06401 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | DRD1 | P21728 | 1/20 | 0.57 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.57 |
| ▸ | PDE4A | P27815 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL15212269 | 0.85 | RAD52 (0.62) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Water SCHEMBL28141136 | 0.84 | RAD52 (0.78) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Cyanamide SCHEMBL3092234 | 0.82 | RAD52 (0.64) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Thiocyanic Acid SCHEMBL6468415 | 0.82 | RAD52 (0.64) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| SCHEMBL34882 | 0.82 | ACHE (0.81) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Acetonitrile SCHEMBL27846375 | 0.81 | RAD52 (0.58) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Cyanide SCHEMBL28191543 | 0.80 | ACHE (0.71) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| SCHEMBL30331058 | 0.80 | ACHE (0.71) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Bromide SCHEMBL18062500 | 0.80 | ACHE (0.82) | RAD52HSP90AA1HSPD1HSPE1ACHE | |
| Fluoride Ion SCHEMBL1502795 | 0.80 | ACHE (0.77) | RAD52HSP90AA1HSPD1HSPE1ACHE |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9058935-B2 | Compounds containing alkyl-cyano-borate or alkyl-cyano-fluoroborate anions | MERC PATENT GMBH (DE) | 2015-06-16 | — | — | US | claimed |
| EP-2731955-B1 | COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2017-01-11 | — | — | EP | disclosed |
| US-9058935-B2 | Compounds containing alkyl-cyano-borate or alkyl-cyano-fluoroborate anions | MERC PATENT GMBH (DE) | 2015-06-16 | — | — | US | disclosed |
| US-20140155566-A1 | COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2014-06-05 | — | — | US | disclosed |
| EP-2731955-A1 | COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS | Merck Patent GmbH (DE) | 2014-05-21 | — | — | EP | disclosed |
| WO-2013010641-A1 | COMPOUNDS CONTAINING ALKYL-CYANO-BORATE OR ALKYL-CYANO-FLUOROBORATE ANIONS | MERCK PATENT GMBH (DE) | 2013-01-24 | — | — | WO | disclosed |