Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | UBE2T | Q9NPD8 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | BPTF | Q12830 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | CASP7 | P55210 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL12683340 | 0.81 | CYP1A2 (0.52) | CYP1A2CNR2 | |
| SCHEMBL14503215 | 0.79 | CYP1A2 (0.75) | CYP1A2CNR2CHRM4ALDH1A1MAPK1 | |
| SCHEMBL3828582 | 0.76 | ALDH1A1 (0.50) | CNR2ALDH1A1SMN1; SMN2HPGDKDM4E | |
| SCHEMBL29451100 | 0.73 | HDAC8 (0.36) | — | |
| SCHEMBL15539388 | 0.72 | PDE10A (0.41) | CNR2ALDH1A1HTTHPGDKDM4E | |
| SCHEMBL14206593 | 0.72 | CYP1A2 (0.42) | CYP1A2CNR2NPC1RAB9A | |
| SCHEMBL3830167 | 0.71 | POLB (0.53) | ALDH1A1MAPK1HTTRAB9AKDM4E | |
| SCHEMBL3129457 | 0.71 | CYP1A2 (0.59) | CYP1A2CNR2CHRM4ALDH1A1MAPK1 | |
| SCHEMBL2714682 | 0.70 | HPGD (0.41) | CNR2ALDH1A1MAPK1HTTSMN1; SMN2 | |
| SCHEMBL9918311 | 0.70 | PANK3 (0.34) | HTTSMN1; SMN2NPC1RAB9ALMNA |
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-2008062276-A2 | ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (US) | 2008-05-29 | — | — | WO | disclosed |