Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.54 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22281364 | 0.80 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1CHRM5CHRM3GAA | |
| SCHEMBL978988 | 0.77 | ALDH1A1 (0.47) | SIGMAR1ALDH1A1CHRM5CHRM3GAA | |
| SCHEMBL1019855 | 0.75 | CHRM5 (0.67) | SIGMAR1ALDH1A1CHRM5CHRM3GAA | |
| SCHEMBL12226350 | 0.73 | GAA (0.47) | ALDH1A1GAABLMDRD3ALOX15 | |
| SCHEMBL14752935 | 0.73 | BLM (0.49) | ALDH1A1GAABLMDRD3ALOX15 | |
| SCHEMBL15499763 | 0.73 | BLM (0.49) | ALDH1A1GAABLMDRD3ALOX15 | |
| SCHEMBL2556132 | 0.72 | SIGMAR1 (0.55) | SIGMAR1ALDH1A1CHRM5CHRM3GAA | |
| SCHEMBL180620 | 0.72 | — | — | |
| SCHEMBL2739418 | 0.72 | BLM (0.57) | ALDH1A1GAABLMDRD3TSHR | |
| SCHEMBL20756575 | 0.72 | BLM (0.57) | ALDH1A1GAABLMDRD3TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011000945-A9 | AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS | NENSIUS RESEARCH A/S (DK) | 2011-04-07 | — | — | WO | claimed |
| WO-2011000945-A9 | AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS | NENSIUS RESEARCH A/S (DK) | 2011-04-07 | — | — | WO | disclosed |
| WO-2011000945-A2 | AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS | NENSIUS RESEARCH A/S (DK) | 2011-01-06 | — | — | WO | disclosed |