Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.59 |
| ▸ | SPR | P35270 | 9/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2857718 | 0.84 | ALDH1A1 (0.69) | ALDH1A1LMNAHPGDMAPTCYP3A4 | |
| SCHEMBL2853025 | 0.81 | ALDH1A1 (0.65) | ALDH1A1LMNAHPGDMAPTGAA | |
| SCHEMBL773204 | 0.77 | NR4A3 (0.78) | ALDH1A1LMNAMAPTGAAMAPK1 | |
| SCHEMBL13593554 | 0.76 | ALDH1A1 (0.63) | ALDH1A1LMNAMAPTGAAMAPK1 | |
| SCHEMBL2856061 | 0.75 | ALDH1A1 (0.58) | ALDH1A1SPRMAPTGAAMAPK1 | |
| SCHEMBL27808 | 0.75 | NR4A3 (0.61) | ALDH1A1LMNAMAPTGAAMAPK1 | |
| SCHEMBL2858195 | 0.73 | ALDH1A1 (0.56) | ALDH1A1LMNATP53HPGDMAPT | |
| SCHEMBL4975986 | 0.73 | ALDH1A1 (0.51) | ALDH1A1SPRMAPT | |
| SCHEMBL14883373 | 0.73 | RXFP1 (0.60) | ALDH1A1LMNATP53HPGDMAPT | |
| SCHEMBL16615597 | 0.73 | ALDH1A1 (0.74) | ALDH1A1LMNATP53MAPTTHRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-1451160-B1 | PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN | ICAGEN INC (US) | 2010-01-13 | — | — | EP | disclosed |