Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | KDM1A | O60341 | 2/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22076979 | 0.89 | ALDH1A1 (0.84) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL664734 | 0.89 | ALDH1A1 (0.84) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL4795566 | 0.87 | ALDH1A1 (0.87) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL8226104 | 0.85 | ALDH1A1 (0.97) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL9417582 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL3686059 | 0.84 | ALDH1A1 (0.94) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL22570306 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL4636610 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL22570158 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 | |
| SCHEMBL14934960 | 0.81 | ALDH1A1 (0.72) | ALDH1A1KDM4EPKMCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004108668-A2 | ALPHA-7 NEURONAL NICOTINIC RECEPTOR LIGANDS: COMPOSITIONS AND METHODS OF USE | TARGACEPT, INC. (US) | 2004-12-16 | — | — | WO | disclosed |