Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALPG | P10696 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 2/20 | 0.39 |
| ▸ | CCR5 | P51681 | 1/20 | 0.38 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363678 | 0.84 | CDK4 (0.45) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363746 | 0.82 | USP2 (0.44) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363612 | 0.82 | HPGD (0.44) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363605 | 0.81 | POLB (0.48) | KMT2AMEN1CYP1A2CYP3A4MAPT | |
| SCHEMBL14552348 | 0.81 | MAOB (0.54) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363606 | 0.80 | SLC6A4 (0.41) | KMT2AMEN1RAB9ACYP1A2CYP3A4 | |
| SCHEMBL21363758 | 0.76 | CYP3A4 (0.63) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363673 | 0.75 | MAPT (0.41) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363748 | 0.73 | NPC1 (0.46) | KMT2AMEN1NPC1RAB9ACYP1A2 | |
| SCHEMBL21363608 | 0.73 | CYP3A4 (0.49) | KMT2AMEN1NPC1RAB9ACYP1A2 |
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 |