Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LDHA | P00338 | 1/20 | 0.59 |
| ▸ | PPARG | P37231 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | PPARA | Q07869 | 3/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.48 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.48 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.48 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.48 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.48 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.48 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.48 |
| ▸ | ACE | P12821 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL7431892 | 1.00 | LDHA (0.59) | LDHAPPARGKMT2APPARAHDAC3 | |
| SCHEMBL8861640 | 0.86 | PPARA (0.53) | PPARGPPARAACECYP1A2CYP3A4 | |
| SCHEMBL8692120 | 0.86 | CYP2C9 (0.48) | LDHAPPARGPPARAACECYP1A2 | |
| SCHEMBL8694777 | 0.86 | PPARA (0.53) | PPARGPPARAACECYP1A2CYP3A4 | |
| SCHEMBL8861656 | 0.86 | CYP2C9 (0.48) | LDHAPPARGPPARAACECYP1A2 | |
| SCHEMBL7396931 | 0.86 | LDHA (0.49) | LDHAHDAC3HDAC4HDAC1HDAC7 | |
| Methacrylic Acid SCHEMBL7825282 | 0.84 | FFAR1 (0.46) | LDHAPPARGKMT2APPARAACE | |
| SCHEMBL10436394 | 0.84 | LDHA (0.76) | LDHAPPARGKMT2APPARACYP1A2 | |
| SCHEMBL7343898 | 0.83 | PPARA (0.50) | KMT2APPARACYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11123665 | 0.83 | LDHA (0.54) | LDHAPPARGKMT2APPARAACE |
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 |
|---|---|---|---|---|---|---|---|
| US-5599951-A | ENZYME INHIBITORS | SOCIETE CIVILE BIOPROJET (FR) | 1997-02-04 | — | — | US | disclosed |