Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.68 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.68 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.68 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1901358 | 0.89 | SIGMAR1 (0.84) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL11981587 | 0.88 | SIGMAR1 (0.60) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL11627783 | 0.85 | SIGMAR1 (0.72) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL981182 | 0.83 | SIGMAR1 (0.74) | SIGMAR1CHRM5CHRM3EPHX2CA12 | |
| SCHEMBL982065 | 0.83 | SIGMAR1 (0.90) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL28391152 | 0.82 | SIGMAR1 (0.72) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| Esaprazole SCHEMBL931007 | 0.81 | SIGMAR1 (1.00) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL976989 | 0.81 | SIGMAR1 (0.67) | SIGMAR1CHRM5CHRM3EPHX2CA12 | |
| SCHEMBL1073695 | 0.79 | SIGMAR1 (0.82) | SIGMAR1CHRM5CHRM3CA12CA1 | |
| SCHEMBL13640016 | 0.79 | SIGMAR1 (0.72) | SIGMAR1CHRM5CHRM3CA12CA1 |
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 4 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-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 | 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 |