Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 2/20 | 0.44 |
| ▸ | CDK4 | P11802 | 4/20 | 0.39 |
| ▸ | CCND1 | P24385 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | PLG | P00747 | 2/20 | 0.39 |
| ▸ | PLAU | P00749 | 2/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 5/20 | 0.36 |
| ▸ | HTR2C | P28335 | 5/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18856898 | 0.86 | CYP1A2 (0.41) | HTR7CYP1A2CYP2A6PLGPLAU | |
| SCHEMBL16479302 | 0.86 | HTR7 (0.46) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL14594165 | 0.83 | ACACB (0.47) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL18856945 | 0.83 | PLG (0.45) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL16216132 | 0.83 | HTR7 (0.44) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL12257510 | 0.82 | RORC (0.45) | HTR7CYP1A2CYP2A6PLGPLAU | |
| SCHEMBL14117445 | 0.81 | GLO1 (0.46) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL22930059 | 0.81 | HTR7 (0.42) | HTR7CDK4CCND1CYP1A2CYP2A6 | |
| SCHEMBL23612457 | 0.78 | KMO (0.54) | HTR7MTNR1AMTNR1BTP53 | |
| SCHEMBL22930066 | 0.78 | PLG (0.41) | HTR7CDK4CCND1PLGPLAU |
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 |