Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | P4HB | P07237 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363786 | 0.75 | MAPT (0.48) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL21366573 | 0.74 | NPC1 (0.54) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL21363793 | 0.69 | CYP3A4 (0.41) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL21363792 | 0.69 | MEN1 (0.44) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL21363785 | 0.69 | HPGD (0.45) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL1276635 | 0.67 | CYP3A4 (0.55) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL21363749 | 0.66 | CYP3A4 (0.43) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL11783441 | 0.64 | P4HB (0.43) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| SCHEMBL14552348 | 0.64 | MAOB (0.54) | CYP1A2CYP3A4MAPTALDH1A1MEN1 | |
| Safrole SCHEMBL28336724 | 0.63 | CYP3A4 (0.77) | CYP1A2CYP3A4MAPTALDH1A1MEN1 |
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 1 patent. 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 |