Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 2/20 | 0.58 |
| ▸ | HTR2C | P28335 | 2/20 | 0.58 |
| ▸ | HTR7 | P34969 | 2/20 | 0.49 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.44 |
| ▸ | KRAS | P01116 | 7/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.38 |
| ▸ | FABP3 | P05413 | 1/20 | 0.37 |
| ▸ | FABP2 | P12104 | 1/20 | 0.37 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3478164 | 0.81 | HTR2A (0.63) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL18301155 | 0.80 | HTR2A (0.54) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL3046803 | 0.78 | HTR2A (0.55) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL27976945 | 0.78 | HTR2A (0.55) | HTR2AHTR2CHTR7NTSR1 | |
| SCHEMBL21941497 | 0.78 | HTR2A (0.59) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL14061899 | 0.78 | HTR2A (0.59) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL4944251 | 0.78 | HTR2C (0.68) | HTR2AHTR2CHTR7NTSR1KRAS | |
| SCHEMBL18856961 | 0.77 | HTR2A (0.58) | HTR2AHTR2CKRASSLC6A2 | |
| SCHEMBL18856956 | 0.77 | HTR2C (0.58) | HTR2AHTR2CFABP4AR | |
| SCHEMBL2382637 | 0.77 | HTR2A (0.54) | HTR2AHTR2CHTR7NTSR1KRAS |
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-2017082924-A1 | PEPTIDE AND PEPTIDE MIMETIC BINDING ANTAGONISTS OF POLO-LIKE KINASE 1 POLO BOX DOMAIN AND METHODS OF USE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) | 2017-05-18 | — | — | WO | disclosed |