Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 4/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 4/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 4/20 | 0.41 |
| ▸ | HTR1A | P08908 | 2/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | PREP | P48147 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14552348 | 0.75 | MAOB (0.54) | CYP3A4CYP1A2MAPTHTR1APOLB | |
| SCHEMBL14552371 | 0.74 | POLB (0.61) | CYP3A4CYP1A2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL21363678 | 0.73 | CDK4 (0.45) | CYP3A4CYP1A2MAPTADRA2AADRA2B | |
| SCHEMBL7988383 | 0.72 | LTB4R (0.53) | POLBMEN1KMT2AALDH1A1TSHR | |
| SCHEMBL21363605 | 0.71 | POLB (0.48) | CYP3A4CYP1A2MAPTPOLBMEN1 | |
| SCHEMBL21363751 | 0.69 | CYP1A2 (0.41) | CYP3A4CYP1A2MAPTPOLBMEN1 | |
| SCHEMBL21363746 | 0.69 | USP2 (0.44) | CYP3A4CYP1A2MAPTADRA2AADRA2B | |
| SCHEMBL21363612 | 0.69 | HPGD (0.44) | CYP3A4CYP1A2MAPTADRA2AADRA2B | |
| SCHEMBL4843039 | 0.69 | POLB (0.48) | CYP3A4CYP1A2MAPTPOLBSMN1; SMN2 | |
| SCHEMBL7990417 | 0.68 | LTB4R (0.57) | — |
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-2019175713-A1 | NEW CATECHOL MOLECULES AND THEIR USE AS INHIBITORS TO P450 RELATED METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |
| WO-2019175712-A1 | NEW USES FOR CATECHOL MOLECULES AS INHIBITORS TO GLUTATHIONE S-TRANSFERASE METABOLIC PATHWAYS | BASF CORPORATION (US) | 2019-09-19 | — | — | WO | disclosed |