Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | CTSL | P07711 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | PLA2G4A | P47712 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2467784 | 0.88 | NPC1 (0.45) | ALDH1A1NPC1RAB9ATDP1ABCB1 | |
| SCHEMBL12968953 | 0.83 | NPC1 (0.47) | ALDH1A1NPC1RAB9ATDP1ABCB1 | |
| SCHEMBL9369728 | 0.82 | NPC1 (0.46) | ALDH1A1NPC1RAB9ATDP1ABCB1 | |
| SCHEMBL9367318 | 0.81 | NPC1 (0.42) | NPC1RAB9ATDP1ABCB1GRM5 | |
| SCHEMBL9354172 | 0.81 | NPC1 (0.45) | ALDH1A1NPC1RAB9ATDP1ABCB1 | |
| SCHEMBL9366519 | 0.81 | NPC1 (0.45) | NPC1RAB9ATDP1HDAC8MEN1 | |
| SCHEMBL2465928 | 0.80 | COMT (0.42) | NPC1RAB9AGRM5 | |
| SCHEMBL2464192 | 0.76 | COMT (0.54) | ABCB1GRM5CTSLCTSB | |
| SCHEMBL9366595 | 0.73 | CSF1R (0.45) | ALDH1A1NPC1RAB9ATDP1CTSL | |
| SCHEMBL14124878 | 0.73 | L3MBTL1 (0.41) | ALDH1A1NPC1RAB9ATDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011109254-A1 | INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS | MERCK SHARP & DOHME CORP. (US) | 2011-09-09 | — | — | WO | disclosed |