Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | CYP2E1 | P05181 | 3/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL27606195 | 0.86 | CA12 (0.42) | SMN1; SMN2CA12CA1CA2CA9 | |
| Ethoxycarbonyl Group SCHEMBL27588347 | 0.82 | CA1 (0.43) | TDP1CA12CA1CA2CA9 | |
| SCHEMBL5700142 | 0.82 | — | — | |
| Ethoxycarbonyl Group SCHEMBL28010114 | 0.77 | CA12 (0.36) | CA12CA1CA2CA9CYP1A2 | |
| Ethoxycarbonyl Group SCHEMBL27620341 | 0.77 | GCGR (0.35) | SMN1; SMN2TDP1MEN1MAPTKMT2A | |
| Ethoxycarbonyl Group SCHEMBL27620342 | 0.75 | GCGR (0.36) | RAB9AMEN1MAPTKMT2A | |
| SCHEMBL29911950 | 0.73 | CA12 (0.53) | SMN1; SMN2TDP1CA12CA1CA2 | |
| SCHEMBL13841188 | 0.73 | CA12 (0.53) | SMN1; SMN2TDP1CA12CA1CA2 | |
| SCHEMBL28876824 | 0.73 | CA12 (0.42) | CA12CA1CA2CA9CYP1A2 | |
| Formic Acid Methyl Ester SCHEMBL27841730 | 0.72 | CA12 (0.41) | NFE2L2CA12CA1CA2CA9 |
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-102648198-B | Pyridine derivatives as S1P1/EDG1 receptor modulators | ACTELION PHARMACEUTICALS LTD | 2015-04-01 | — | — | CN | disclosed |