Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1554221 | 0.86 | ALDH1A1 (0.48) | SIGMAR1HPGDCHRM1CHRM3CHRM2 | |
| SCHEMBL26466767 | 0.80 | SIGMAR1 (0.45) | SIGMAR1HPGDCYP3A4CYP2C19CHRM5 | |
| SCHEMBL1555258 | 0.72 | HPGD (0.49) | SIGMAR1HPGDCYP3A4CYP2C19CHRM5 | |
| SCHEMBL1554899 | 0.70 | EPHX1 (0.44) | SIGMAR1HPGDALDH1A1EPHX1SMN1; SMN2 | |
| SCHEMBL5036242 | 0.69 | ATM (0.32) | — | |
| SCHEMBL13451969 | 0.67 | AGL (0.35) | CYP3A4 | |
| SCHEMBL6134967 | 0.67 | HSD11B1 (0.40) | KMT2AMEN1 | |
| SCHEMBL6479844 | 0.65 | SIGMAR1 (0.75) | SIGMAR1HPGDCYP3A4CYP2C19CHRM5 | |
| SCHEMBL3075216 | 0.65 | EPHX1 (0.68) | HPGDCYP3A4CYP2C19ALDH1A1KMT2A | |
| SCHEMBL23612751 | 0.65 | SIGMAR1 (0.71) | SIGMAR1HPGDCYP3A4CYP2C19CHRM5 |
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 2 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 | 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 |