Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.40 |
| ▸ | LMNA | P02545 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 3/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 3/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.33 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1018454 | 1.00 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL18343317 | 0.80 | ALDH1A1 (0.39) | CYP3A4CYP2C9CYP2C19ALDH1A1SMN1; SMN2 | |
| SCHEMBL31483043 | 0.79 | CYP2C9 (0.46) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL16298847 | 0.79 | CYP2C9 (0.46) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL15116375 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL13826479 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL8433156 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL25855749 | 0.77 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL23565702 | 0.77 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP2C19SIGMAR1ALDH1A1 | |
| SCHEMBL11317431 | 0.76 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2LMNAHTTTAS1R3 |
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-2011000945-A2 | AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS | NENSIUS RESEARCH A/S (DK) | 2011-01-06 | — | — | WO | disclosed |