Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.34 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14193612 | 0.85 | CYP3A4 (0.44) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL4843039 | 0.84 | POLB (0.48) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL4846051 | 0.81 | POLB (0.43) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL4849521 | 0.80 | ALDH1A1 (0.43) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL14552371 | 0.78 | POLB (0.61) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL21363608 | 0.76 | CYP3A4 (0.49) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL21363758 | 0.75 | CYP3A4 (0.63) | CYP3A4MAPTCYP1A2ALDH1A1SMN1; SMN2 | |
| SCHEMBL14552348 | 0.75 | MAOB (0.54) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL30262896 | 0.75 | POLB (0.43) | CYP3A4MAPTCYP1A2POLBALDH1A1 | |
| SCHEMBL21363612 | 0.75 | HPGD (0.44) | CYP3A4MAPTCYP1A2ALDH1A1SMN1; SMN2 |
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 |