Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.54 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.54 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.54 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.54 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.54 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.54 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.54 |
| ▸ | AAK1 | Q2M2I8 | 7/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | PPARA | Q07869 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29095821 | 0.87 | PPARA (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24485487 | 0.87 | PPARA (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL24143407 | 0.86 | CYP1A2 (0.67) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL26304208 | 0.83 | SCN10A (0.52) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL8117254 | 0.83 | HDAC3 (0.67) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL630992 | 0.82 | PTPN1 (0.66) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL2779366 | 0.81 | AAK1 (0.56) | HDAC3HDAC4HDAC1HDAC7HDAC2 | |
| SCHEMBL15558774 | 0.81 | MAPT (0.52) | PPARAMAPTKLK7KLK5ALDH1A1 | |
| SCHEMBL9746641 | 0.80 | AAK1 (0.68) | AAK1PTPN1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7299670 | 0.80 | KLK5 (0.53) | PPARAMAPTKLK7KLK5SYK |
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-2003062261-A2 | DMT-TIC DI- AND TRI-PEPTIDIC DERIVATIVES AND RELATED COMPOSITIONS AND METHODS OF USE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2003-07-31 | — | — | WO | disclosed |