Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | PREP | P48147 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363784 | 0.86 | MAPT (0.42) | NPC1KMT2AMEN1ALDH1A1TSHR | |
| SCHEMBL21363607 | 0.86 | MAOB (0.51) | MAOBNPC1BCHEACHEPREP | |
| SCHEMBL21366582 | 0.83 | BRS3 (0.41) | NPC1ALDH1A1SMN1; SMN2HPGDL3MBTL1 | |
| SCHEMBL21363790 | 0.81 | CYP3A4 (0.55) | MAOBNPC1KMT2AALDH1A1MAPT | |
| SCHEMBL21363678 | 0.81 | CDK4 (0.45) | CDK4CCND1NPC1BCHEACHE | |
| SCHEMBL21366571 | 0.79 | CDK4 (0.43) | CDK4CCND1MAOBNPC1BCHE | |
| SCHEMBL21363674 | 0.75 | CDK4 (0.44) | CDK4CCND1MAOBNPC1BCHE | |
| SCHEMBL21363783 | 0.73 | MAOB (0.51) | MAOBNPC1BCHEACHEPREP | |
| SCHEMBL21363679 | 0.72 | CDK4 (0.41) | CDK4CCND1MAOBNPC1BCHE | |
| SCHEMBL18543737 | 0.72 | CTBP2 (0.47) | MAOBNPC1ACHEKMT2AMEN1 |
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 |