Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 14/20 | 0.75 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | APP | P05067 | 2/20 | 0.59 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | BCHE | P06276 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL16795652 | 0.87 | MAOB (0.88) | MAOB | |
| SCHEMBL7917245 | 0.87 | MAOB (0.77) | MAOBAPP | |
| SCHEMBL16795567 | 0.85 | MAOB (0.79) | MAOBRAB9A | |
| SCHEMBL310367 | 0.84 | MAOB (0.60) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL16795550 | 0.83 | MAOB (1.00) | MAOBAPP | |
| SCHEMBL29666660 | 0.82 | MAOB (1.00) | MAOBNPC1RAB9AALDH1A1BCHE | |
| SCHEMBL73864 | 0.82 | MAOB (1.00) | MAOBNPC1RAB9AALDH1A1BCHE | |
| SCHEMBL12183014 | 0.81 | MAOB (0.73) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL4700934 | 0.81 | APP (0.68) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL17978716 | 0.81 | MAOB (0.96) | MAOBNPC1RAB9AALDH1A1BCHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102869256-B | Catechol O-methyltransferase inhibitors and their use in the treatment of psychotic disorders | 默沙东公司 | 2016-06-22 | — | — | CN | disclosed |