Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.50 |
| ▸ | PDE5A | O76074 | 3/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL21363607 | 0.87 | MAOB (0.51) | CYP3A4KMT2ATDP1L3MBTL1NPC1 | |
| SCHEMBL21363747 | 0.81 | CDK4 (0.41) | KMT2ATDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL11691800 | 0.80 | CYP3A4 (0.58) | CYP3A4KMT2ACALM1CYP1A2ALDH1A1 | |
| SCHEMBL21363784 | 0.80 | MAPT (0.42) | CYP3A4KMT2AL3MBTL1NPC1RAB9A | |
| SCHEMBL21363758 | 0.78 | CYP3A4 (0.63) | CYP3A4KMT2ATDP1L3MBTL1NPC1 | |
| SCHEMBL21366582 | 0.77 | BRS3 (0.41) | L3MBTL1NPC1RAB9ACALM1ALDH1A1 | |
| SCHEMBL21363783 | 0.74 | MAOB (0.51) | KMT2ATDP1L3MBTL1NPC1RAB9A | |
| SCHEMBL21363636 | 0.72 | MAOB (0.59) | CYP3A4KMT2ATDP1L3MBTL1NPC1 | |
| SCHEMBL8965716 | 0.71 | CYP3A4 (0.76) | CYP3A4KMT2ANPC1RAB9ACYP1A2 | |
| SCHEMBL306160 | 0.71 | CYP3A4 (1.00) | CYP3A4KMT2ANPC1RAB9ACYP1A2 |
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 |