Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.45 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5050842 | 0.88 | ALDH1A1 (0.47) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL8404683 | 0.88 | LMNA (0.52) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL5008266 | 0.83 | ALDH1A1 (0.51) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL19634682 | 0.82 | KMT2A (0.55) | ALDH1A1TSHRNFKB1CYP3A4MCHR1 | |
| SCHEMBL8404684 | 0.77 | ALDH1A1 (0.56) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL19634425 | 0.77 | ALDH1A1 (0.73) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL15947383 | 0.75 | ALDH1A1 (0.50) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL5009757 | 0.74 | ALDH1A1 (0.60) | ALDH1A1LMNASLC22A2SLC22A1TSHR | |
| SCHEMBL8404664 | 0.73 | HDAC3 (0.61) | TSHRBLMPMP22NFKB1POLB | |
| SCHEMBL13496897 | 0.73 | LMNA (0.48) | ALDH1A1LMNASLC22A2SLC22A1TSHR |
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-1884513-A1 | PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME | Japan Tobacco, Inc. (JP) | 2008-02-06 | — | — | EP | disclosed |