Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.33 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.32 |
| ▸ | PPARG | P37231 | 6/20 | 0.32 |
| ▸ | PPARD | Q03181 | 6/20 | 0.32 |
| ▸ | PPARA | Q07869 | 6/20 | 0.32 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.32 |
| ▸ | TSHR | P16473 | 4/20 | 0.32 |
| ▸ | TLR2 | O60603 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | FABP4 | P15090 | 2/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.32 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9754039 | 1.00 | HAO1 (0.46) | HAO1KMT2AMAPTCES1CES2 | |
| SCHEMBL4300098 | 0.89 | HAO1 (0.36) | HAO1CES1CES2ALDH1A1TSHR | |
| SCHEMBL11120068 | 0.85 | CES1 (0.41) | KMT2ACES1CES2ALDH1A1ALOX15 | |
| SCHEMBL3836647 | 0.81 | APOBEC3A (0.37) | HAO1KMT2AMAPTCES1CES2 | |
| SCHEMBL3836644 | 0.81 | APOBEC3A (0.37) | HAO1KMT2AMAPTCES1CES2 | |
| SCHEMBL7231561 | 0.81 | TDP1 (0.36) | TDP1 | |
| SCHEMBL8661149 | 0.79 | AKR1B1 (0.46) | HAO1KMT2ACES1CES2ALDH1A1 | |
| SCHEMBL8661144 | 0.79 | AKR1B1 (0.46) | HAO1KMT2ACES1CES2ALDH1A1 | |
| SCHEMBL12528583 | 0.74 | ALDH1A1 (0.32) | CES1CES2ALDH1A1TSHR | |
| SCHEMBL15263974 | 0.72 | GAA (0.42) | MAPTALDH1A1HDAC11 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996012706-A1 | NOVEL ACID PYRAZOLE AND PYRAZOLONE DERIVATIVES FOR USE AS ENDOTHELIN RECEPTOR ANTAGONISTS | ROUSSEL UCLAF (FR) | 1996-05-02 | — | — | WO | disclosed |
| WO-1991015479-A1 | SUBSTITUTED PYRAZOLES, ISOXAZOLES AND ISOTHIAZOLES | MERCK & CO., INC. (US) | 1991-10-17 | — | — | WO | disclosed |