Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
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 | 0.87 | CDK4 (0.45) | NPC1MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21363605 | 0.80 | POLB (0.48) | MAPTALDH1A1SMN1; SMN2TSHRKMT2A | |
| SCHEMBL14552348 | 0.76 | MAOB (0.54) | NPC1MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21363746 | 0.75 | USP2 (0.44) | NPC1MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21363612 | 0.75 | HPGD (0.44) | NPC1MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21363610 | 0.73 | KMT2A (0.41) | NPC1MAPTSMN1; SMN2TSHRHTT | |
| SCHEMBL11696893 | 0.73 | CYP3A4 (0.53) | MAPTALDH1A1SMN1; SMN2KMT2ACYP3A4 | |
| SCHEMBL21363606 | 0.73 | SLC6A4 (0.41) | MAPTSMN1; SMN2TSHRKMT2ATDP1 | |
| SCHEMBL3521430 | 0.71 | CDK4 (0.60) | NPC1MAPTALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL21363758 | 0.70 | CYP3A4 (0.63) | NPC1MAPTALDH1A1SMN1; SMN2TSHR |
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 |