Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.42 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.42 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21363757 | 0.95 | MAOB (0.50) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL21363788 | 0.92 | MAOB (0.55) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL14552343 | 0.86 | MAOB (0.52) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL21366597 | 0.86 | MAOB (0.57) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL21366534 | 0.80 | MAOB (0.46) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL9292582 | 0.80 | MAOB (0.51) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL9293053 | 0.79 | MAOB (0.50) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL13854257 | 0.79 | MAOB (0.59) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL14552394 | 0.78 | TDP1 (0.46) | MAOBMAOAKMT2ATDP1L3MBTL1 | |
| SCHEMBL14552351 | 0.78 | MAOB (0.41) | MAOBMAOAKMT2AALDH1A1TSHR |
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 |