Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | ACP3 | P15309 | 2/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.38 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA2 | P00918 | 3/20 | 0.37 |
| ▸ | CA9 | Q16790 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | APAF1 | O14727 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| SCHEMBL1173054 | 0.89 | HSD17B10 (0.38) | CYP3A4MEN1LMNAMAPTKMT2A | |
| SCHEMBL27275837 | 0.79 | MAPK1 (0.37) | CYP3A4CA1CA2CA9CA12 | |
| SCHEMBL27979918 | 0.78 | TLR9 (0.36) | CYP3A4GRIA4CA1CA2CA9 | |
| SCHEMBL28793737 | 0.78 | IDO1 (0.32) | CA1CA2 | |
| SCHEMBL27556761 | 0.76 | UGT2B7 (0.41) | CYP3A4CA1CA2CA9MEN1 | |
| SCHEMBL28795710 | 0.75 | TGM2 (0.40) | CYP3A4PTGS2MEN1LMNAKMT2A | |
| SCHEMBL27844721 | 0.74 | GRIA4 (0.41) | CYP3A4GRIA4CA1CA2CA9 | |
| SCHEMBL27857728 | 0.74 | HSD11B1 (0.38) | ACP3CA1CA2CA9 | |
| SCHEMBL776436 | 0.72 | CYP2C19 (0.38) | CYP3A4LMNAMAPT | |
| SCHEMBL27862042 | 0.71 | TRPV4 (0.39) | CYP3A4LMNAHTTSMN1; SMN2 |
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-102292319-A | Novel substituted octahydrocyclopenta(C)pyrrol-4-amines as calcium channel blockers | — | 2011-12-21 | — | — | CN | disclosed |