Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 3/20 | 0.52 |
| ▸ | THRB | P10828 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | MMP13 | P45452 | 1/20 | 0.49 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.48 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.48 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.48 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | FBP1 | P09467 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17078837 | 0.91 | LMNA (0.49) | PKMTHRBALDH1A1HTTSMN1; SMN2 | |
| SCHEMBL17078735 | 0.89 | HDAC1 (0.58) | PKMALDH1A1MAPTMMP13NAMPT | |
| SCHEMBL20421019 | 0.85 | GRIN2B (0.67) | ALDH1A1HTTGRIN2BFAAHRAB9A | |
| SCHEMBL17078692 | 0.81 | CA1 (0.47) | ALDH1A1SMN1; SMN2MAPTCACNA1GCACNA1H | |
| SCHEMBL20420898 | 0.80 | CACNA1G (0.48) | SMN1; SMN2CACNA1GCACNA1HCACNA1IRAB9A | |
| SCHEMBL20421205 | 0.79 | GRIN2B (0.65) | ALDH1A1SMN1; SMN2MAPTGRIN2BFAAH | |
| SCHEMBL17078707 | 0.79 | DPP4 (0.48) | SMN1; SMN2TP53MAPTCACNA1GCACNA1H | |
| SCHEMBL20421186 | 0.78 | DPP4 (0.50) | ALDH1A1SMN1; SMN2MAPTMMP13CACNA1G | |
| SCHEMBL20432638 | 0.77 | HDAC6 (0.58) | — | |
| SCHEMBL17078604 | 0.77 | HDAC6 (0.58) | — |
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-3116859-B1 | NOVEL COMPOUNDS AS HISTONE DEACETYLASE 6 INHIBITORS AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME | CHONG KUN DANG PHARMACEUTICAL CORP (KR) | 2018-08-01 | — | — | EP | disclosed |