Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | POLA1 | P09884 | 1/20 | 0.48 |
| ▸ | IAPP | P10997 | 2/20 | 0.46 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5023396 | 1.00 | TRPA1 (0.50) | TRPA1POLBPOLA1IAPPCES1 | |
| SCHEMBL29639618 | 0.91 | POLB (0.59) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL11099789 | 0.88 | TRPA1 (0.60) | TRPA1POLBPOLA1IAPPCES1 | |
| SCHEMBL11099793 | 0.88 | TRPA1 (0.60) | TRPA1POLBPOLA1IAPPCES1 | |
| SCHEMBL22133139 | 0.86 | IAPP (0.43) | TRPA1POLBPOLA1IAPPCES1 | |
| SCHEMBL2542739 | 0.86 | IAPP (0.43) | TRPA1POLBPOLA1IAPPCES1 | |
| SCHEMBL11129864 | 0.80 | FAAH (0.64) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL11129860 | 0.80 | FAAH (0.64) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL29639616 | 0.79 | TRPA1 (0.63) | TRPA1POLBPOLA1CES1CES2 | |
| SCHEMBL2081591 | 0.79 | TRPA1 (0.52) | TRPA1POLBPOLA1IAPPCES1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1945606-A1 | ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF | Korea Research Institute of Chemical Technology (KR) | 2008-07-23 | — | — | EP | claimed |
| WO-2007052938-A1 | ALKYLCARBAMOYL NAPHTHALENYLOXY- OCTENOYLHYDROXYAMIDE DERIVATIVES HAVING INHIBITORY ACTIVITY AGAINST HISTONE DEACETYLASE AND PREPARATION THEREOF | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2007-05-10 | — | — | WO | claimed |