Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.59 |
| ▸ | MAOA | P21397 | 5/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | EDNRB | P24530 | 2/20 | 0.41 |
| ▸ | EDNRA | P25101 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL10565899 | 0.86 | MAOB (0.56) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL1316052 | 0.83 | MAOB (0.58) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL21363607 | 0.83 | MAOB (0.51) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL9789582 | 0.79 | KMT2A (0.51) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL7775193 | 0.79 | MAOB (0.59) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL13854257 | 0.79 | MAOB (0.59) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL21363783 | 0.77 | MAOB (0.51) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL21366597 | 0.77 | MAOB (0.57) | MAOBMAOANPC1RAB9AKMT2A | |
| SCHEMBL6918873 | 0.77 | RXRA (0.45) | MAOBKMT2ATDP1L3MBTL1MAPT | |
| SCHEMBL14365267 | 0.76 | SMN1; SMN2 (0.47) | MAOBNPC1RAB9AKMT2ATDP1 |
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 |