Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.30 |
| ▸ | RORC | P51449 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL1655959 | 0.97 | OPRD1 (0.34) | PDPK1CDK2OPRD1 | |
| Trifluoroacetic Acid SCHEMBL6788050 | 0.88 | OPRD1 (0.32) | PDPK1CDK2OPRD1 | |
| SCHEMBL1655960 | 0.86 | PLK1 (0.31) | PDPK1CDK2 | |
| Trifluoroacetic Acid SCHEMBL4267112 | 0.84 | KDM1A (0.33) | PDPK1CDK2OPRD1RORC | |
| Trifluoroacetic Acid SCHEMBL6793385 | 0.84 | S1PR1 (0.32) | PDPK1CDK2OPRD1RORC | |
| Trifluoroacetic Acid SCHEMBL6787805 | 0.83 | CDK2 (0.36) | PDPK1CDK2OPRD1RORC | |
| SCHEMBL6792318 | 0.82 | PDPK1 (0.35) | PDPK1CDK2 | |
| SCHEMBL6792438 | 0.81 | PDPK1 (0.34) | PDPK1CDK2 | |
| Bromide SCHEMBL1655616 | 0.81 | PDPK1 (0.34) | PDPK1CDK2 | |
| Trifluoroacetic Acid SCHEMBL6791782 | 0.80 | PDPK1 (0.33) | PDPK1CDK2OPRD1RORC |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1824498-A2 | METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES | THE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006053315-A2 | METHODS AND COMPOSITIONS FOR TREATING CELLULAR PROLIFERATIVE DISEASES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-05-18 | — | — | WO | disclosed |