Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 1/20 | 0.36 |
| ▸ | BHMT | Q93088 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10024592 | 0.82 | ALDH1A1 (0.41) | ALDH1A1HRH4TDP1CYP1A2HRH2 | |
| SCHEMBL9525474 | 0.81 | HTR1A (0.36) | ALDH1A1HRH4TDP1CYP1A2HRH2 | |
| SCHEMBL20411535 | 0.81 | CES2 (0.48) | ALDH1A1HRH4TDP1CYP1A2HRH2 | |
| SCHEMBL9525485 | 0.81 | CYP2D6 (0.50) | ALDH1A1TDP1HSD17B10HTR1ADRD2 | |
| Hydrochloric Acid SCHEMBL14157523 | 0.79 | CYP2D6 (0.48) | ALDH1A1HSD17B10BHMTMAPTGMNN | |
| SCHEMBL9378006 | 0.79 | CTSD (0.35) | ALDH1A1HRH4TDP1CYP1A2HRH2 | |
| SCHEMBL1760612 | 0.76 | KMT2A (0.39) | ALDH1A1TDP1CYP1A2HSD17B10BHMT | |
| SCHEMBL677698 | 0.76 | HTR1A (0.41) | HTR1ADRD2HTR2AHTR7BHMT | |
| SCHEMBL22868418 | 0.76 | KMT2A (0.42) | ALDH1A1HSD17B10HTR1ADRD2HTR2A | |
| SCHEMBL27005772 | 0.73 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1863804-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2007-12-12 | — | — | EP | claimed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | claimed |
| EP-1863804-A1 | INHIBITORS OF HISTONE DEACETYLASE | Methylgene, Inc. (CA) | 2007-12-12 | — | — | EP | disclosed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |
| WO-2006102760-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC. (CA) | 2006-10-05 | — | — | WO | disclosed |