Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.37 |
| ▸ | ATP4A | P20648 | 1/20 | 0.36 |
| ▸ | ATP4B | P51164 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.35 |
| ▸ | 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 | 5/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | GNRHR | P30968 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11398553 | 0.79 | NPC1 (0.44) | NPC1RAB9APSMB8ATP4AATP4B | |
| SCHEMBL1128916 | 0.79 | RAB9A (0.44) | NPC1RAB9APSMB8ATP4AATP4B | |
| SCHEMBL15111647 | 0.79 | GAA (0.42) | NPC1RAB9ACNR2GAAPARP1 | |
| SCHEMBL4191637 | 0.79 | PARP1 (0.53) | NPC1RAB9AATP4AATP4BCYP1A2 | |
| SCHEMBL9307952 | 0.78 | NPC1 (0.46) | NPC1RAB9ACYP1A2CYP2D6GRIN2B | |
| SCHEMBL6829319 | 0.78 | CHRM1 (0.46) | NPC1RAB9ACNR2PARP1ALDH1A1 | |
| SCHEMBL629041 | 0.77 | NPC1 (0.41) | NPC1RAB9ACNR2CYP1A2MGAM | |
| SCHEMBL3968950 | 0.76 | DDAH1 (0.50) | ATP4AATP4BGAAADORA1ADORA2A | |
| SCHEMBL3973661 | 0.76 | GRIN2B (0.36) | NPC1RAB9ACYP1A2CYP2D6GRIN2B | |
| SCHEMBL66295 | 0.75 | PSMB8 (0.59) | NPC1RAB9APSMB8MGAMGAA |
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-2003053941-A2 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-ALPHA CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | BRISTOL-MYERS SQUIBB COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |