Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 4/20 | 0.35 |
| ▸ | EED | O75530 | 2/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.33 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.33 |
| ▸ | SSTR5 | P35346 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | FNTA | P49354 | 1/20 | 0.32 |
| ▸ | FNTB | P49356 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.32 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.32 |
| ▸ | SLC40A1 | Q9NP59 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | MLNR | O43193 | 1/20 | 0.31 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9629392 | 0.90 | TP53 (0.40) | HTR1ATP53EEDSCN9AKCNH2 | |
| SCHEMBL9688923 | 0.89 | EED (0.46) | HTR1ATP53EEDKCNH2NR4A2 | |
| SCHEMBL9630461 | 0.88 | HTR1A (0.40) | HTR1ATP53EEDSCN9AKCNH2 | |
| SCHEMBL9629371 | 0.87 | HTR1A (0.42) | HTR1ATP53EEDSCN9AKCNH2 | |
| SCHEMBL9631303 | 0.86 | ROCK2 (0.35) | HTR1ATP53 | |
| SCHEMBL9691136 | 0.85 | SLC6A9 (0.44) | TP53EEDMAPTENPP2 | |
| SCHEMBL9630201 | 0.83 | HTR1A (0.37) | HTR1ATP53EEDSCN9AKCNH2 | |
| Fumaric Acid SCHEMBL9807334 | 0.82 | HTR1A (0.37) | HTR1ATP53EEDSCN9AKCNH2 | |
| SCHEMBL9690678 | 0.82 | MEN1 (0.39) | HTR1ATP53EEDKCNH2NR4A2 | |
| Oxalic Acid SCHEMBL9629056 | 0.79 | CHEK2 (0.37) | HTR1ASCN9AKCNH2MAPTFNTA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0297661-B1 | [(Bicyclic heterocyclyl)methyl and -hetero] substituted hexahydro-1H-azepines and pyrrolidines | JANSSEN PHARMACEUTICA N.V. (BE) | 1992-09-16 | — | — | EP | disclosed |