Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 2/20 | 0.37 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.37 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.37 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.37 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29050986 | 0.88 | TP53 (0.38) | HDAC1HDAC2HDAC7HDAC8HDAC6 | |
| SCHEMBL15345882 | 0.84 | TP53 (0.38) | HDAC1HDAC2HDAC7HDAC8HDAC6 | |
| SCHEMBL9822598 | 0.84 | CA1 (0.41) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL3682679 | 0.84 | TP53 (0.44) | CA1CA2TP53CA12CA7 | |
| SCHEMBL27657008 | 0.83 | CHRM5 (0.34) | HDAC1HDAC2HDAC7HDAC8HDAC6 | |
| Ammonia Solution, Strong SCHEMBL7706882 | 0.83 | TP53 (0.43) | CA1CA2TP53CA12CA7 | |
| SCHEMBL37544 | 0.79 | HDAC1 (0.39) | HDAC1HDAC2HDAC7HDAC8HDAC6 | |
| SCHEMBL11759627 | 0.78 | TP53 (0.41) | CA1CA2TSHRTP53CA12 | |
| SCHEMBL8150069 | 0.78 | CA1 (0.30) | CA1CA2 | |
| SCHEMBL29799487 | 0.78 | TDP1 (0.40) | HDAC1HDAC2HDAC7HDAC8HDAC6 |
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-2279192-B1 | IONIC LIQUIDS | MERCK PATENT GMBH (DE) | 2013-10-30 | — | — | EP | claimed |