Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.68 |
| ▸ | CA1 | P00915 | 2/20 | 0.68 |
| ▸ | CA2 | P00918 | 2/20 | 0.68 |
| ▸ | CA9 | Q16790 | 2/20 | 0.68 |
| ▸ | SIGMAR1 | Q99720 | 8/20 | 0.64 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.64 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.64 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.53 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL11010870 | 0.81 | SIGMAR1 (0.91) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL1555698 | 0.81 | SIGMAR1 (0.76) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL6479844 | 0.81 | SIGMAR1 (0.75) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL23612751 | 0.80 | SIGMAR1 (0.71) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL19034848 | 0.80 | SIGMAR1 (0.71) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL19636761 | 0.80 | SIGMAR1 (0.71) | CA12CA1CA2CA9SIGMAR1 | |
| Esaprazole SCHEMBL931007 | 0.78 | SIGMAR1 (1.00) | CA12CA1CA2CA9SIGMAR1 | |
| SCHEMBL2730613 | 0.78 | EPHX2 (1.00) | EPHX2 | |
| SCHEMBL2719520 | 0.78 | EPHX2 (1.00) | EPHX2 | |
| SCHEMBL1557134 | 0.78 | SIGMAR1 (0.65) | CA12CA1CA2CA9SIGMAR1 |
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 |