Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 8/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 6/20 | 0.42 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL21366597 | 0.79 | MAOB (0.57) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL14552348 | 0.78 | MAOB (0.54) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL7775193 | 0.77 | MAOB (0.59) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL21363636 | 0.77 | MAOB (0.59) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL14552343 | 0.77 | MAOB (0.52) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL21363788 | 0.77 | MAOB (0.55) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL21363672 | 0.75 | MAOB (0.52) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL9789581 | 0.75 | MAOB (0.59) | MAOBKMT2ATDP1L3MBTL1MAOA | |
| SCHEMBL13854257 | 0.75 | MAOB (0.59) | MAOBKMT2ATDP1L3MBTL1MAOA |
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 |