Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11107735 | 0.86 | CA12 (0.49) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL10845162 | 0.85 | CA12 (0.55) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL11260195 | 0.85 | CA12 (0.55) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL9507338 | 0.81 | TAAR1 (0.55) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL9401700 | 0.81 | TAAR1 (0.55) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL7266355 | 0.80 | TBXAS1 (0.54) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL8324028 | 0.79 | NR1H4 (0.40) | HDAC8HDAC6HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL10848541 | 0.79 | TBXAS1 (0.53) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| Hydrochloric Acid SCHEMBL11261045 | 0.79 | TBXAS1 (0.53) | TAAR1HDAC8HDAC6HDAC3HDAC4 | |
| SCHEMBL10603147 | 0.77 | TAAR1 (0.40) | TAAR1HDAC8HDAC6HDAC3HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004063169-A1 | HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-07-29 | — | — | WO | disclosed |