Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27747222 | 0.88 | AOC3 (0.42) | HDAC4HDAC7HDAC5NPC1HTT | |
| SCHEMBL28076433 | 0.85 | MAPT (0.46) | RAB9AAOC3SLC6A4CYP2C19ALOX15 | |
| SCHEMBL28764261 | 0.84 | ALDH1A1 (0.40) | NPC1HTTRAB9ASLC6A4CNR1 | |
| SCHEMBL28069939 | 0.84 | ALDH1A1 (0.40) | NPC1HTTRAB9ASLC6A4CNR1 | |
| SCHEMBL28700426 | 0.84 | KDM4E (0.47) | NPC1HTTRAB9AKDM4ELMNA | |
| SCHEMBL27674502 | 0.83 | LMNA (0.39) | HDAC4HDAC7HDAC5HTTAOC3 | |
| SCHEMBL27674503 | 0.83 | LMNA (0.39) | HDAC4HDAC7HDAC5HTTAOC3 | |
| SCHEMBL28862367 | 0.83 | MAPT (0.47) | NPC1HTTRAB9ALMNA | |
| SCHEMBL28715382 | 0.83 | GPR139 (0.42) | KDM4ELMNA | |
| SCHEMBL28076612 | 0.82 | NPC1 (0.36) | HDAC4HDAC7HDAC5NPC1HTT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112437685-A | Solid forms of 3- ((1R,3R) -1- (2, 6-difluoro-4- ((1- (3-fluoropropyl) azetidin-3-yl) amino) phenyl) -3-methyl-1, 3,4, 9-tetrahydro-2H-pyrido [3,4-b ] indol-2-yl) -2, 2-difluoropropan-1-ol and methods of making fused tricyclic compounds containing a substituted phenyl or pyridinyl moiety, including methods of use thereof | 豪夫迈·罗氏有限公司 | 2021-03-02 | — | — | CN | disclosed |