Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 7/20 | 0.37 |
| ▸ | MAOB | P27338 | 7/20 | 0.37 |
| ▸ | KDM1A | O60341 | 4/20 | 0.35 |
| ▸ | CTSL | P07711 | 3/20 | 0.34 |
| ▸ | CTSB | P07858 | 3/20 | 0.34 |
| ▸ | CTSK | P43235 | 3/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL1051705 | 1.00 | ALDH1A1 (0.39) | ALDH1A1MAOAMAOBKDM1ACTSL | |
| SCHEMBL11823681 | 0.77 | MAOA (0.48) | ALDH1A1MAOAMAOBKDM1ACTSL | |
| SCHEMBL8767085 | 0.76 | MAOA (0.47) | ALDH1A1MAOAMAOBCTSLCTSB | |
| SCHEMBL1049955 | 0.75 | MAOA (0.32) | MAOAMAOBKDM1ACTSLCTSB | |
| SCHEMBL7532162 | 0.72 | ALDH1A1 (0.41) | ALDH1A1MAOAMAOBKDM1A | |
| SCHEMBL7858287 | 0.68 | OPRM1 (0.43) | ALDH1A1 | |
| Cyclohexanol SCHEMBL596691 | 0.68 | OPRL1 (0.45) | ALDH1A1MAOAMAOB | |
| SCHEMBL28373550 | 0.68 | ALDH1A1 (0.41) | ALDH1A1MAOAMAOBHSD11B1 | |
| SCHEMBL16601016 | 0.67 | MAOA (0.45) | MAOAMAOBCTSLCTSBCTSK | |
| SCHEMBL28555751 | 0.66 | MAOA (0.44) | ALDH1A1MAOAMAOBKDM1AHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7872034-B2 | Arylcycloalkyl-substituted alkanoic acid derivatives, processes for their preparation and their use as pharmaceuticals | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2011-01-18 | — | — | US | disclosed |