Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.40 |
| ▸ | KMO | O15229 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 4/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.37 |
| ▸ | FNTA | P49354 | 2/20 | 0.36 |
| ▸ | FNTB | P49356 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | MDH2 | P40926 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.34 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.34 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28215576 | 0.80 | KMO (0.36) | KMOOPRM1OPRD1SMYD3CHRNB2 | |
| SCHEMBL29163107 | 0.80 | LOXL2 (0.46) | CA12CA1CA2CA9KMO | |
| SCHEMBL2822693 | 0.76 | ATM (0.46) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL2825586 | 0.76 | ATM (0.46) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL2822690 | 0.76 | ATM (0.46) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL5692582 | 0.76 | NPC1 (0.61) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL8359572 | 0.72 | NPC1 (0.53) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL5001110 | 0.70 | KMO (0.71) | CA12CA1CA2CA9KMO | |
| SCHEMBL2832878 | 0.70 | NPC1 (0.54) | NPC1CA12CA1CA2CA9 | |
| SCHEMBL12879187 | 0.69 | NPC1 (0.53) | NPC1CA12CA1CA2CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105051037-A | Sphingosine-1-phosphate receptor agonists, method for the preparation thereof and pharmaceutical compositions comprising the same as active agent | LG LIFE SCIENCES LTD | 2015-11-11 | — | — | CN | disclosed |