Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 10/20 | 0.34 |
| ▸ | CDK2 | P24941 | 4/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.33 |
| ▸ | AURKA | O14965 | 2/20 | 0.33 |
| ▸ | NAMPT | P43490 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 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 SCHEMBL1655852 | 0.95 | AURKA (0.32) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL1656593 | 0.92 | ROCK2 (0.33) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4270585 | 0.88 | CDK2 (0.33) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4262255 | 0.88 | ROCK2 (0.38) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL1656607 | 0.87 | CDK2 (0.36) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4258276 | 0.87 | ROCK2 (0.32) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4267640 | 0.87 | CCNA2 (0.32) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4264410 | 0.87 | ROCK2 (0.37) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL4271415 | 0.87 | AURKA (0.32) | ROCK2CDK2CCNA2CCNA1AURKA | |
| Trifluoroacetic Acid SCHEMBL1655955 | 0.87 | HTR5A (0.35) | ROCK2CDK2CCNA2CCNA1AURKA |
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 |