Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 5/20 | 0.45 |
| ▸ | SSTR4 | P31391 | 3/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 5/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 4/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | BUB1 | O43683 | 3/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.32 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.32 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.32 |
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 SCHEMBL28027842 | 0.91 | SSTR4 (0.42) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| Ethoxycarbonyl Group SCHEMBL28080941 | 0.87 | SSTR4 (0.36) | CYP17A1SSTR4CHRNB2CHRNA4MAPT | |
| SCHEMBL28160859 | 0.86 | CYP17A1 (0.51) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| Ammonia Solution, Strong SCHEMBL28408262 | 0.84 | CYP17A1 (0.50) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| Ethoxycarbonyl Group SCHEMBL28027834 | 0.82 | CYP17A1 (0.45) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| Ethoxycarbonyl Group SCHEMBL28027847 | 0.78 | CHRNB2 (0.49) | SSTR4CHRNB2CHRNA4GSK3BGSK3A | |
| Formic Acid SCHEMBL28012981 | 0.77 | SSTR4 (0.47) | CYP17A1SSTR4CHRNB2CHRNA4GSK3B | |
| Ethoxycarbonyl Group SCHEMBL27884606 | 0.74 | CYP11B1 (0.35) | CA12CA1CA2CA9CA14 | |
| SCHEMBL4397933 | 0.74 | CYP17A1 (0.51) | CYP17A1SSTR4GSK3BMAPTGSK3A | |
| SCHEMBL14424010 | 0.73 | CA12 (0.50) | SSTR4CHRNB2CHRNA4CA12CA1 |
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-104520296-B | Pyrrolopyridinone derivatives as TTX-S blocker | 拉夸里亚创药株式会社 | 2016-11-16 | — | — | CN | disclosed |