Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | RARB | P10826 | 8/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | RARA | P10276 | 2/20 | 0.32 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 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 | |
|---|---|---|---|---|
| SCHEMBL9757852 | 0.96 | MAOA (0.36) | CYP1A2MAOAMAOBHRH3NPC1 | |
| SCHEMBL9759087 | 0.96 | CYP1A2 (0.41) | CYP1A2MAOAMAOBHRH3BCHE | |
| SCHEMBL9758966 | 0.95 | TSHR (0.37) | MAOAMAOBHRH3NPC1RAB9A | |
| SCHEMBL9757785 | 0.92 | MAOA (0.38) | CYP1A2MAOAMAOBHRH3NPC1 | |
| SCHEMBL9758110 | 0.92 | MAOA (0.38) | MAOAMAOBHRH3NPC1RAB9A | |
| SCHEMBL9758652 | 0.90 | MAOA (0.37) | CYP1A2MAOAMAOBHRH3BCHE | |
| SCHEMBL9759330 | 0.89 | SPHK1 (0.40) | CYP1A2HRH3NPC1RAB9ABCHE | |
| SCHEMBL9759208 | 0.87 | NISCH (0.34) | MAOAMAOBHRH3NPC1RAB9A | |
| SCHEMBL9758978 | 0.87 | MAOA (0.40) | MAOAMAOBHRH3BCHEMAPT | |
| SCHEMBL9759568 | 0.86 | SPHK1 (0.40) | HRH3NPC1RAB9ABCHEHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4985583-A | Liquid Crystals | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-01-15 | — | — | US | disclosed |
| EP-0154849-A2 | Cyclohexane derivatives | MERCK PATENT GmbH (DE) | 1985-09-18 | — | — | EP | disclosed |