Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL20288050 | 0.89 | NOS1 (0.36) | NOS1 | |
| SCHEMBL10141290 | 0.81 | NOS1 (0.43) | NPC1ALDH1A1HSD17B10MAPTGFER | |
| SCHEMBL12537251 | 0.81 | NPC1 (0.39) | NPC1ALDH1A1HSD17B10MAPTGFER | |
| SCHEMBL12194116 | 0.79 | NPC1 (0.38) | NPC1ALDH1A1HSD17B10MAPTGFER | |
| SCHEMBL12462949 | 0.78 | NOS1 (0.38) | NOS1 | |
| SCHEMBL13191843 | 0.77 | NOS1 (0.43) | NOS1 | |
| SCHEMBL8287081 | 0.76 | NPC1 (0.36) | NPC1ALDH1A1HSD17B10MAPTGFER | |
| SCHEMBL13191774 | 0.75 | — | — | |
| SCHEMBL16522148 | 0.74 | NPC1 (0.35) | NPC1ALDH1A1HSD17B10MAPTGFER | |
| SCHEMBL20175446 | 0.74 | NOS1 (0.44) | NPC1ALDH1A1HSD17B10MAPTGFER |
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-2004041776-A2 | SULFONYLAMINOVALEROLAC TAMS AND DERIVATIVES THEREOF AS FACTOR Xa INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-05-21 | — | — | WO | disclosed |