Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CPA1 | P15085 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | XIAP | P98170 | 1/20 | 0.39 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL14737949 | 0.79 | SLC6A2 (0.48) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL11613866 | 0.76 | TRPA1 (0.42) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL29299431 | 0.76 | SLC6A2 (0.43) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL11611999 | 0.75 | TRPA1 (0.41) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL11516569 | 0.75 | TRPA1 (0.41) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| Trifluoroacetic Acid SCHEMBL14738207 | 0.74 | SMN1; SMN2 (0.49) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL29293841 | 0.74 | TRPA1 (0.47) | TRPA1SLC6A2TAAR1CYP1A2CYP2C9 | |
| Formaldehyde SCHEMBL27595990 | 0.71 | LMNA (0.40) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL11861090 | 0.71 | TRPA1 (0.49) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 | |
| SCHEMBL5610136 | 0.70 | CYP1A2 (0.56) | TRPA1SMN1; SMN2HIF1ASLC6A2TAAR1 |
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-2012013848-A1 | DIFLUOROBENZYL ETHANOLAMINE DERIVATIVES WITH ANTIMICROBIAL ACTIVITY | FUNDACIÓN DE LA COMUNIDAD VALENCIANA "CENTRO DE INVESTIGACIÓN PRÍNCIPE FELIPE" (ES) | 2012-02-02 | — | — | WO | disclosed |