Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P4HB | P07237 | 13/20 | 0.61 |
| ▸ | SMAD3 | P84022 | 7/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL14284020 | 0.97 | P4HB (0.61) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11087697 | 0.83 | CYP3A4 (0.69) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11091535 | 0.80 | P4HB (0.54) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11407223 | 0.79 | SMAD3 (0.66) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL24598746 | 0.73 | P4HB (0.58) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL172849 | 0.72 | CYP1A2 (0.55) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL18826859 | 0.72 | P4HB (0.41) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL21363756 | 0.71 | MAOB (0.54) | P4HBMEN1ALDH1A1KMT2ASMN1; SMN2 | |
| SCHEMBL22301578 | 0.70 | ALDH1A1 (0.45) | P4HBCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11862920 | 0.70 | P4HB (0.45) | P4HBSMAD3CYP1A2CYP3A4CYP2D6 |
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 |