Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | XIAP | P98170 | 1/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.45 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.45 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | LAP3 | P28838 | 3/20 | 0.42 |
| ▸ | ANPEP | P15144 | 2/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL353179 | 1.00 | TRPA1 (0.50) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL29822049 | 1.00 | TRPA1 (0.50) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL5161982 | 0.86 | TRPA1 (0.58) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL13721525 | 0.86 | TRPA1 (0.58) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL516032 | 0.86 | EPHX1 (0.56) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL6563096 | 0.86 | EPHX1 (0.56) | EPHX1ALPIPKMPTGS1XIAP | |
| SCHEMBL8895212 | 0.83 | SLC6A2 (0.47) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL8895209 | 0.83 | SLC6A2 (0.47) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL27754378 | 0.83 | TRPA1 (0.47) | TRPA1EPHX1ALPIPKMPTGS1 | |
| SCHEMBL27482362 | 0.83 | TRPA1 (0.47) | TRPA1EPHX1ALPIPKMPTGS1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982026-B1 | Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers | HOFFMANN LA ROCHE (CH) | 2006-05-17 | — | — | EP | disclosed |
| US-6184236-B1 | Method of treating a neurodegenerative disease by administering an aryl-cyclohexylamine derivative | HOFFMANN-LA ROCHE INC. | 2001-02-06 | — | — | US | disclosed |
| EP-0982026-A2 | Use of aryl-cyclohexylamine derivatives in the manufacture of NMDA receptor blockers | F. HOFFMANN-LA ROCHE AG (CH) | 2000-03-01 | — | — | EP | disclosed |
| CN-1128534-A | Monomeric and multimeric compounds with improved relaxivity | BRACCO INT BV (NL) | 1996-08-07 | — | — | CN | disclosed |