Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8817206 | 0.67 | TRPA1 (0.38) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL9635859 | 0.67 | — | — | |
| SCHEMBL9860035 | 0.67 | — | — | |
| SCHEMBL10426377 | 0.65 | ALDH1A1 (0.36) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL6610522 | 0.65 | — | — | |
| SCHEMBL7155019 | 0.65 | — | — | |
| SCHEMBL8818396 | 0.65 | TRPA1 (0.42) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL10967037 | 0.61 | — | — | |
| Benzene SCHEMBL28842860 | 0.59 | TRPA1 (0.36) | TRPA1ALDH1A1CYP3A4HPGDALOX15 | |
| SCHEMBL12879660 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7064118-B2 | Heteroaryl diazacycloalkanes, their preparation and use | NEUROSEARCH A/S (DK) | 2006-06-20 | — | — | US | disclosed |