Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 2/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | USP5 | P45974 | 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 | |
|---|---|---|---|---|
| SCHEMBL12772861 | 0.84 | ALDH1A1 (0.50) | ALDH1A1HTTL3MBTL3L3MBTL1CYP1A2 | |
| SCHEMBL13847402 | 0.84 | ALDH1A1 (0.54) | ALDH1A1HTTL3MBTL3L3MBTL1HRH3 | |
| SCHEMBL13804044 | 0.83 | CHRM1 (0.42) | ALDH1A1HTTL3MBTL3L3MBTL1HRH3 | |
| SCHEMBL19066091 | 0.82 | CHRM1 (0.47) | ALDH1A1HTTL3MBTL3L3MBTL1TDP1 | |
| SCHEMBL26157134 | 0.80 | KDM4E (0.47) | ALDH1A1HTTKDM4ELMNAALOX15 | |
| SCHEMBL81624 | 0.80 | L3MBTL1 (0.39) | ALDH1A1L3MBTL3L3MBTL1TDP1HRH3 | |
| SCHEMBL25075074 | 0.79 | HRH3 (0.44) | ALDH1A1HRH3KDM4EKCNH2ALOX15 | |
| SCHEMBL13407270 | 0.78 | LMNA (0.47) | ALDH1A1L3MBTL3L3MBTL1HRH3KDM4E | |
| SCHEMBL12436813 | 0.78 | LMNA (0.47) | ALDH1A1L3MBTL3L3MBTL1HRH3KDM4E | |
| SCHEMBL890089 | 0.78 | CYP1A2 (0.44) | ALDH1A1HTTCYP1A2TDP1HRH3 |
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-2018098296-A1 | PIPERAZINE DERIVATIVES AS SELECTIVE HDAC1,2 INHIBITORS | REGENACY PHARMACEUTICALS, LLC (US) | 2018-05-31 | — | — | WO | disclosed |