Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FAAH | O00519 | 4/20 | 0.54 |
| ▸ | CCND3 | P30281 | 1/20 | 0.54 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.54 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.50 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.50 |
| ▸ | ITGAL | P20701 | 1/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | CA6 | P23280 | 1/20 | 0.50 |
| ▸ | AHR | P35869 | 1/20 | 0.50 |
| ▸ | ADK | P55263 | 1/20 | 0.50 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.47 |
| ▸ | ABL1 | P00519 | 1/20 | 0.47 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.47 |
| ▸ | LCK | P06239 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | CSF1R | P07333 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL828618 | 0.87 | AURKA (0.59) | FAAHCCND3CDK6AURKAJAK2 | |
| SCHEMBL29688264 | 0.87 | AURKA (0.59) | FAAHCCND3CDK6AURKAJAK2 | |
| Hydrochloric Acid SCHEMBL2674335 | 0.86 | AURKA (0.58) | FAAHCCND3CDK6AURKAJAK2 | |
| Hydrochloric Acid SCHEMBL5008172 | 0.86 | AURKA (0.58) | FAAHCCND3CDK6AURKAJAK2 | |
| Indole SCHEMBL5205084 | 0.79 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL27631042 | 0.79 | TRPA1 (0.74) | TRPA1CA1CA2ITGB2ICAM1 | |
| Trifluoroacetic Acid SCHEMBL5659985 | 0.78 | FAAH (0.49) | FAAHCCND3CDK6AURKAJAK2 | |
| Indole SCHEMBL384964 | 0.77 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL29160563 | 0.77 | TRPA1 (0.71) | TRPA1CA1CA2ITGB2ICAM1 | |
| Indole SCHEMBL712897 | 0.76 | TRPA1 (0.68) | 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 |
|---|---|---|---|---|---|---|---|
| EP-1684736-B1 | DNA DAMAGE REPAIR INHIBITORS FOR TREATMENT OF CANCER | KUDOS PHARM LTD (GB) | 2011-08-24 | — | — | EP | claimed |