Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.45 |
| ▸ | CA2 | P00918 | 3/20 | 0.45 |
| ▸ | RXRA | P19793 | 2/20 | 0.45 |
| ▸ | CA9 | Q16790 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | RXRB | P28702 | 1/20 | 0.45 |
| ▸ | RXRG | P48443 | 1/20 | 0.45 |
| ▸ | PTPN5 | P54829 | 4/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29727254 | 1.00 | TRPA1 (0.46) | TRPA1CA1CA2RXRACA9 | |
| SCHEMBL9171540 | 0.93 | RXRA (0.42) | TRPA1CA1CA2RXRACA9 | |
| SCHEMBL9876285 | 0.90 | RXRA (0.46) | TRPA1CA1CA2RXRACA9 | |
| SCHEMBL30865718 | 0.88 | TRPA1 (0.51) | TRPA1CA1CA2CA9CA12 | |
| SCHEMBL9177215 | 0.88 | RXRA (0.50) | CA1CA2RXRACA9RXRB | |
| SCHEMBL29068263 | 0.85 | RXRA (0.45) | TRPA1CA1CA2RXRACA9 | |
| SCHEMBL8675449 | 0.85 | RXRA (0.45) | CA1CA2RXRACA9RXRB | |
| SCHEMBL11788083 | 0.84 | TSHR (0.44) | TRPA1CA1CA2RXRACA9 | |
| SCHEMBL28310912 | 0.82 | TRPA1 (0.47) | TRPA1CA1CA2CA9CA12 | |
| SCHEMBL9174916 | 0.82 | RXRA (0.44) | CA1CA2RXRACA9CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0504541-B1 | Improved catalytic process for selective alkylation of aromatic hydrocarbons | SOLUTIA EUROP NV SA (BE) | 1998-07-22 | — | — | EP | disclosed |
| US-5233111-A | CATALYTIC PROCESS FOR SELECTIVE ALKYLATION OF AROMATIC HYDROCARBONS | MONSANTO COMPANY (US) | 1993-08-03 | — | — | US | disclosed |
| EP-0504541-A1 | Improved catalytic process for selective alkylation of aromatic hydrocarbons | MONSANTO EUROPE S.A./N.V. (BE) | 1992-09-23 | — | — | EP | disclosed |