Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 7/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL3429217 | 0.90 | PTGS2 (0.48) | CYP19A1PTGS2NPC1RAB9AGGPS1 | |
| SCHEMBL3429548 | 0.86 | HDAC8 (0.53) | PTGS2HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL3429045 | 0.86 | HDAC8 (0.53) | PTGS2HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL3777940 | 0.82 | CYP19A1 (0.66) | CYP19A1PTGS2NPC1RAB9AGGPS1 | |
| Bromide SCHEMBL1887515 | 0.80 | CYP19A1 (0.64) | CYP19A1PTGS2NPC1RAB9AGGPS1 | |
| SCHEMBL16264704 | 0.79 | CYP19A1 (0.62) | CYP19A1PTGS2NPC1RAB9AGGPS1 | |
| SCHEMBL1888507 | 0.77 | HDAC8 (0.51) | PTGS2HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL1883840 | 0.77 | HDAC8 (0.51) | PTGS2HDAC8HDAC3HDAC4HDAC1 | |
| SCHEMBL16264735 | 0.70 | MEN1 (0.50) | CYP19A1NPC1RAB9AMEN1KMT2A | |
| SCHEMBL12022152 | 0.70 | CYP19A1 (0.62) | CYP19A1PTGS2NPC1RAB9AHDAC8 |
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-2254871-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AS IONIC FLUIDS | Technische Universität Dresden (DE) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009095012-A1 | SALTS COMPRISING ARYL-ALKYL-SUBSTITUTED IMIDAZOLIUM AND TRIAZOLIUM CATIONS AND THE USE THEREOF | Technische Universität Dresden (DE) | 2009-08-06 | — | — | WO | disclosed |