Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A13 | Q16696 | 5/20 | 0.51 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | EPAS1 | Q99814 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.43 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL20420987 | 0.91 | HRH3 (0.53) | ACHEHTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL20420934 | 0.87 | NCF1 (0.56) | ACHEHTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL20433138 | 0.83 | HDAC1 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17078715 | 0.83 | HDAC1 (0.59) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL17078462 | 0.83 | SMN1; SMN2 (0.61) | SMN1; SMN2NPC1RAB9AALDH1A1HIF1A | |
| SCHEMBL20432846 | 0.79 | NCF1 (0.52) | HTTSMN1; SMN2HRH3ALDH1A1KDM4E | |
| SCHEMBL102338 | 0.78 | SIGMAR1 (0.71) | CYP2A13HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL6200777 | 0.78 | SIGMAR1 (0.71) | CYP2A13HTTSMN1; SMN2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL6261135 | 0.76 | SIGMAR1 (0.68) | CYP2A13HTTSMN1; SMN2NPC1RAB9A | |
| Water SCHEMBL1702298 | 0.76 | SIGMAR1 (0.68) | CYP2A13HTTSMN1; SMN2NPC1RAB9A |
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 |