Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 5/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 4/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5799667 | 1.00 | TSHR (0.52) | TSHRPTPN1GSK3BLMNAF2 | |
| SCHEMBL9183020 | 0.84 | TDP1 (0.48) | TSHRLMNAF2CES2CES1 | |
| SCHEMBL5799695 | 0.78 | KMT2A (0.41) | TSHRLMNARAB9AALDH1A1NPC1 | |
| SCHEMBL6175975 | 0.77 | PTPN1 (0.54) | TSHRPTPN1GSK3BLMNAF2 | |
| SCHEMBL10900780 | 0.75 | LMNA (0.49) | TSHRLMNAF2CES2CES1 | |
| SCHEMBL10099630 | 0.75 | TSHR (0.56) | TSHRLMNAF2CES2CES1 | |
| SCHEMBL7036219 | 0.74 | LMNA (0.54) | TSHRPTPN1GSK3BLMNAF2 | |
| Methyl Alcohol SCHEMBL19514313 | 0.74 | TSHR (0.65) | TSHRLMNAF2CES2CES1 | |
| SCHEMBL28818564 | 0.74 | LMNA (0.47) | TSHRLMNAF2CES2CES1 | |
| SCHEMBL52413 | 0.73 | LMNA (0.70) | TSHRLMNAF2CES2CES1 |
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-2006025683-A1 | ARYLAMINOMETHYL PROPENYL BENZHYDROXYAMID DERIVATIVES WITH INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND METHOD FOR THE PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2006-03-09 | — | — | WO | disclosed |