Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.36 |
| ▸ | MGAM | O43451 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SI | P14410 | 3/20 | 0.34 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 4/20 | 0.33 |
| ▸ | PTGES | O14684 | 1/20 | 0.33 |
| ▸ | COASY | Q13057 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | EPHB3 | P54753 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8465569 | 0.79 | TRPV1 (0.42) | PSMB8ADORA1MAOBADORA2AADORA2B | |
| SCHEMBL22203383 | 0.79 | NPC1 (0.41) | NPC1RAB9APSMB8ADORA1MAOB | |
| SCHEMBL15113097 | 0.79 | PARP1 (0.46) | NPC1RAB9AADORA1MAOBADORA2A | |
| SCHEMBL3072602 | 0.79 | PARP1 (0.53) | TRPV1MGAMGAASIMGAM2 | |
| SCHEMBL8470496 | 0.76 | TDP1 (0.38) | GAAPARP1 | |
| SCHEMBL9305483 | 0.76 | RAB9A (0.50) | NPC1RAB9APSMB8MGAMGAA | |
| SCHEMBL66295 | 0.75 | PSMB8 (0.59) | NPC1RAB9APSMB8ADORA1MAOB | |
| SCHEMBL6843925 | 0.72 | NPC1 (0.50) | NPC1RAB9APSMB8MGAMGAA | |
| SCHEMBL3109602 | 0.72 | MGAM (0.60) | NPC1RAB9AMGAMGAASI | |
| SCHEMBL8956421 | 0.72 | NPC1 (0.50) | NPC1RAB9APSMB8ADORA1MAOB |
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-2012068211-A1 | TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION | JANSSEN PHARMACEUTICA NV (BE) | 2012-05-24 | — | — | WO | disclosed |