Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | GRM5 | P41594 | 4/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.31 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.31 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | MAPK13 | O15264 | 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 | |
|---|---|---|---|---|
| SCHEMBL8311893 | 0.96 | MAOA (0.35) | MAOAFFAR1GRM5KDM4ENPC1 | |
| SCHEMBL8313790 | 0.82 | TGFBR1 (0.39) | GRM5KDM4EALDH1A1MAPTTSHR | |
| SCHEMBL8313018 | 0.82 | METAP2 (0.39) | GRM5KDM4EMEN1ALDH1A1MAPT | |
| SCHEMBL8311427 | 0.79 | SCN9A (0.35) | FFAR1GRM5KDM4EALDH1A1POLB | |
| SCHEMBL8316296 | 0.79 | CCR1 (0.35) | MAOAGRM5KDM4ENPC1MEN1 | |
| SCHEMBL8315486 | 0.79 | NPC1 (0.39) | GRM5KDM4ENPC1GAAMEN1 | |
| SCHEMBL8316488 | 0.77 | PDE10A (0.40) | GRM5KDM4ENPC1GAAALDH1A1 | |
| SCHEMBL8875966 | 0.77 | NPY5R (0.34) | KDM4EKMT2APOLBSMN1; SMN2 | |
| SCHEMBL8316184 | 0.77 | KDM4E (0.37) | KDM4ENPC1GAAALDH1A1MAPT | |
| SCHEMBL8315309 | 0.75 | ADRA1A (0.38) | GRM5KDM4ENPC1MAPTPOLB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626954-B1 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1999-03-17 | — | — | EP | disclosed |
| US-5602152-A | POTASSIUM CHANNEL MODULATOR | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1997-02-11 | — | — | US | disclosed |
| WO-1994013658-A2 | BENZOCYCLOHEPTENES, BENZOXEPINES AND BENZOTHIEPINES | MERCK PATENT GMBH (DE) | 1994-06-23 | — | — | WO | disclosed |