Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363756 | 0.85 | MAOB (0.54) | NPC1KMT2AMEN1MAOBALDH1A1 | |
| SCHEMBL21366571 | 0.76 | CDK4 (0.43) | CDK4CCND1NPC1KMT2AMEN1 | |
| SCHEMBL21363674 | 0.75 | CDK4 (0.44) | CDK4CCND1NPC1KMT2AMEN1 | |
| SCHEMBL21363678 | 0.73 | CDK4 (0.45) | CDK4CCND1NPC1KMT2AMEN1 | |
| SCHEMBL21363747 | 0.72 | CDK4 (0.41) | CDK4CCND1NPC1KMT2AMEN1 | |
| SCHEMBL13854257 | 0.71 | MAOB (0.59) | NPC1KMT2AMAOBALDH1A1MAPT | |
| SCHEMBL11088971 | 0.70 | ALOX15 (0.44) | KMT2AMEN1MAOBALDH1A1TSHR | |
| SCHEMBL11086745 | 0.69 | ALOX15 (0.45) | KMT2AMEN1MAOBALDH1A1TSHR | |
| SCHEMBL11084093 | 0.69 | HPGD (0.42) | KMT2AMEN1MAPTSMN1; SMN2TDP1 | |
| SCHEMBL21363661 | 0.68 | P4HB (0.61) | KMT2AMEN1ALDH1A1MAPTSMN1; 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 |