Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 7/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | HBB | P68871 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363785 | 0.85 | HPGD (0.45) | MEN1KMT2AALDH1A1MAPTCYP1A2 | |
| SCHEMBL21363786 | 0.83 | MAPT (0.48) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL21363678 | 0.75 | CDK4 (0.45) | MEN1KMT2AALDH1A1MAPTCYP1A2 | |
| SCHEMBL11696893 | 0.72 | CYP3A4 (0.53) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL21363748 | 0.70 | NPC1 (0.46) | MEN1KMT2AALDH1A1MAPTCYP1A2 | |
| SCHEMBL87998 | 0.70 | GABRA1 (0.47) | KMT2AALDH1A1GAAMAPTADRA2B | |
| SCHEMBL21363751 | 0.69 | CYP1A2 (0.41) | MEN1KMT2AALDH1A1MAPTCYP1A2 | |
| SCHEMBL21366573 | 0.69 | NPC1 (0.54) | MEN1KMT2AALDH1A1GAAMAPT | |
| SCHEMBL21363749 | 0.69 | CYP3A4 (0.43) | MEN1KMT2AALDH1A1MAPTCYP1A2 | |
| SCHEMBL16681697 | 0.68 | GABRA1 (0.45) | KMT2AALDH1A1GAAMAPTADRA2B |
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 |