Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | ANPEP | P15144 | 1/20 | 0.33 |
| ▸ | ERAP2 | Q6P179 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL6652891 | 0.89 | ALDH1A1 (0.54) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| SCHEMBL13899774 | 0.83 | HRH3 (0.43) | MAPTSIGMAR1SMN1; SMN2 | |
| SCHEMBL13899773 | 0.81 | PAOX (0.42) | ALDH1A1MAPTSIGMAR1KDM1A | |
| SCHEMBL24600473 | 0.79 | SIGMAR1 (0.41) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| SCHEMBL20333695 | 0.79 | CXCR4 (0.50) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| SCHEMBL165923 | 0.79 | CXCR4 (0.50) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| Hydrochloric Acid SCHEMBL21812908 | 0.77 | CXCR4 (0.48) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| Ammonia Solution, Strong SCHEMBL19410287 | 0.77 | CXCR4 (0.48) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| SCHEMBL30325087 | 0.74 | SIGMAR1 (0.38) | ALDH1A1MAPTSIGMAR1CXCR4POLB | |
| SCHEMBL11922705 | 0.74 | CXCR4 (0.46) | ALDH1A1MAPTSIGMAR1CXCR4POLB |
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-2006038001-A1 | AMINOPYRIMIDINE DERIVATIVES AS JNK INHIBITORS | CELLTECH R & D LIMITED (GB) | 2006-04-13 | — | — | WO | disclosed |