Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363789 | 0.81 | GAA (0.40) | GAAMEN1KMT2APKMCYP3A4 | |
| SCHEMBL772701 | 0.76 | HSP90AA1 (0.51) | GAAMEN1KMT2APKMCYP3A4 | |
| SCHEMBL14284022 | 0.76 | CYP3A4 (0.46) | GAAMEN1KMT2APKMCYP3A4 | |
| SCHEMBL14284021 | 0.76 | CYP3A4 (0.46) | GAAMEN1KMT2APKMCYP3A4 | |
| SCHEMBL28587493 | 0.76 | ALDH1A1 (0.45) | GAAMEN1KMT2APKMCYP3A4 | |
| SCHEMBL14284008 | 0.74 | HTT (0.53) | MEN1KMT2ACYP3A4CYP1A2CYP2C19 | |
| SCHEMBL12227235 | 0.74 | KDM4E (0.33) | GAAMEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL12227231 | 0.74 | KDM4E (0.33) | GAAMEN1KMT2AL3MBTL1ALDH1A1 | |
| SCHEMBL29226566 | 0.74 | MEN1 (0.51) | GAAMEN1KMT2ALMNAHPGD | |
| SCHEMBL30928210 | 0.74 | MEN1 (0.51) | GAAMEN1KMT2ALMNAHPGD |
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 |