Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.34 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6423969 | 0.79 | GABRA1 (0.41) | CYP3A4MAPTCYP1A2POLBMEN1 | |
| SCHEMBL1276635 | 0.78 | CYP3A4 (0.55) | CYP3A4MAPTCYP1A2POLBMEN1 | |
| SCHEMBL21591954 | 0.78 | MAPT (0.44) | CYP3A4MAPTCYP1A2POLBMEN1 | |
| SCHEMBL7797624 | 0.77 | CYP3A4 (0.53) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL11696893 | 0.77 | CYP3A4 (0.53) | CYP3A4MAPTCYP1A2POLBMEN1 | |
| SCHEMBL3262914 | 0.77 | GABRA1 (0.40) | CYP3A4MAPTCYP1A2POLBMEN1 | |
| SCHEMBL13754293 | 0.74 | MAPT (0.48) | CYP3A4MAPTPOLBMEN1KMT2A | |
| SCHEMBL5460784 | 0.74 | MEN1 (0.44) | CYP3A4MAPTPOLBMEN1KMT2A | |
| SCHEMBL546296 | 0.73 | MAPT (0.56) | CYP3A4MAPTPOLBMEN1KMT2A | |
| SCHEMBL29415600 | 0.73 | MAPT (0.56) | CYP3A4MAPTPOLBMEN1KMT2A |
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-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| WO-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |