Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.59 |
| ▸ | CA1 | P00915 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.59 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.59 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.59 |
| ▸ | ITGAL | P20701 | 1/20 | 0.59 |
| ▸ | CA4 | P22748 | 1/20 | 0.59 |
| ▸ | CA6 | P23280 | 1/20 | 0.59 |
| ▸ | AHR | P35869 | 1/20 | 0.59 |
| ▸ | ADK | P55263 | 1/20 | 0.59 |
| ▸ | VCP | P55072 | 2/20 | 0.44 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.40 |
| ▸ | JAK1 | P23458 | 1/20 | 0.40 |
| ▸ | TYK2 | P29597 | 1/20 | 0.40 |
| ▸ | JAK3 | P52333 | 1/20 | 0.40 |
| ▸ | ABL1 | P00519 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.39 |
| ▸ | WNT3A | P56704 | 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 | |
|---|---|---|---|---|
| Cyclohexane Carboxamide SCHEMBL3243755 | 0.92 | TRPA1 (0.53) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL5205084 | 0.85 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27631042 | 0.85 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL384964 | 0.83 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29160563 | 0.83 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL712897 | 0.82 | TRPA1 (0.68) | TRPA1CA1CA2ITGB2ICAM1 | |
| Naphthalene SCHEMBL28572194 | 0.81 | KDM4E (0.47) | KDM4EALDH1A1HPGDTSHRSMN1; SMN2 | |
| Indole SCHEMBL1714302 | 0.81 | TRPA1 (0.61) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL22534012 | 0.79 | AHR (0.77) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL28479409 | 0.79 | TRPA1 (0.77) | TRPA1CA1CA2ITGB2ICAM1 |
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-2010121382-A1 | PROCESS FOR MAKING INDOLE CYCLOPROPYL AMIDE DERIVATIVES | MERCK FROSST CANADA LTD. (CA) | 2010-10-28 | — | — | WO | disclosed |