Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | PREP | P48147 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363800 | 0.77 | CDK4 (0.43) | CDK4CCND1AOC3ADRA2AADRA2B | |
| SCHEMBL3521430 | 0.68 | CDK4 (0.60) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| SCHEMBL21363674 | 0.68 | CDK4 (0.44) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| SCHEMBL21366571 | 0.67 | CDK4 (0.43) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| Bromide SCHEMBL27650271 | 0.66 | CDK4 (0.58) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| SCHEMBL21363678 | 0.66 | CDK4 (0.45) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| SCHEMBL23680052 | 0.65 | CDK4 (0.75) | CDK4CCND1KMT2ATDP1L3MBTL1 | |
| SCHEMBL30886885 | 0.65 | CYP3A4 (0.39) | AOC3KMT2AHTR1AMAOBALDH1A1 | |
| SCHEMBL21363747 | 0.65 | CDK4 (0.41) | CDK4CCND1ADRA2AADRA2BADRA2C | |
| SCHEMBL21363679 | 0.65 | CDK4 (0.41) | CDK4CCND1ADRA2AADRA2BADRA2C |
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 |