Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CASR | P41180 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.37 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9062134 | 1.00 | DRD2 (0.44) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL9061852 | 0.83 | NQO1 (0.41) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL9061861 | 0.83 | NQO1 (0.41) | NPC1RAB9AMAOAMAOBMAPT | |
| SCHEMBL9061623 | 0.81 | RAB9A (0.48) | NPC1RAB9A | |
| SCHEMBL9061982 | 0.81 | RAB9A (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AMAOA | |
| SCHEMBL9061991 | 0.81 | RAB9A (0.42) | ALDH1A1SMN1; SMN2NPC1RAB9AMAOA | |
| SCHEMBL9061617 | 0.81 | RAB9A (0.48) | NPC1RAB9A | |
| SCHEMBL1515026 | 0.80 | DRD2 (0.59) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL170548 | 0.80 | ESR2 (0.53) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 | |
| SCHEMBL14228972 | 0.79 | DRD2 (0.50) | DRD2ALDH1A1SMN1; SMN2MEN1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5536442-A | ELECTROOPTICS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-07-16 | — | — | US | disclosed |
| US-5389292-A | Liquid crystalline media having positive dielctric anisotropy, chemical, heat and radiation resistance, used as electro-optical displaying | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1995-02-14 | — | — | US | disclosed |
| EP-0381728-B1 | DIFLUOROMETHYL COMPOUNDS | MERCK PATENT GMBH (DE) | 1993-12-08 | — | — | EP | disclosed |