Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | CLK1 | P49759 | 2/20 | 0.36 |
| ▸ | CLK2 | P49760 | 2/20 | 0.36 |
| ▸ | CLK3 | P49761 | 2/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14552348 | 0.80 | MAOB (0.54) | MAPTCYP3A4CYP1A2L3MBTL1GAA | |
| SCHEMBL21363678 | 0.78 | CDK4 (0.45) | MAPTCYP3A4CYP1A2L3MBTL1POLB | |
| SCHEMBL21363758 | 0.77 | CYP3A4 (0.63) | MAPTCYP3A4CYP1A2L3MBTL1ALDH1A1 | |
| SCHEMBL21363746 | 0.77 | USP2 (0.44) | MAPTCYP3A4CYP1A2L3MBTL1POLB | |
| SCHEMBL21363612 | 0.77 | HPGD (0.44) | MAPTCYP3A4CYP1A2L3MBTL1ALDH1A1 | |
| SCHEMBL21363605 | 0.76 | POLB (0.48) | MAPTCYP3A4CYP1A2L3MBTL1POLB | |
| SCHEMBL21363608 | 0.75 | CYP3A4 (0.49) | MAPTCYP3A4CYP1A2L3MBTL1POLB | |
| SCHEMBL21363610 | 0.75 | KMT2A (0.41) | MAPTCYP3A4CYP1A2HTTL3MBTL1 | |
| SCHEMBL21363606 | 0.74 | SLC6A4 (0.41) | MAPTCYP3A4CYP1A2L3MBTL1TSHR | |
| SCHEMBL21363609 | 0.73 | CYP3A4 (0.48) | MAPTCYP3A4CYP1A2POLBALDH1A1 |
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-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| WO-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |