Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | THRB | P10828 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CDC25A | P30304 | 6/20 | 0.33 |
| ▸ | CDC25B | P30305 | 6/20 | 0.33 |
| ▸ | CDC25C | P30307 | 5/20 | 0.33 |
| ▸ | SCD | O00767 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.33 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL359187 | 1.00 | ALDH1A1 (0.54) | ALDH1A1THRBGAAMAPTKDM4E | |
| SCHEMBL361730 | 0.95 | THRB (0.49) | ALDH1A1THRBGAAMAPTKDM4E | |
| SCHEMBL14916777 | 0.81 | THRB (0.34) | ALDH1A1THRBGAAMAPTLMNA | |
| SCHEMBL3269226 | 0.80 | ALDH1A1 (0.65) | ALDH1A1THRBGAAMAPTKDM4E | |
| SCHEMBL14953161 | 0.78 | POLB (0.31) | ALDH1A1THRBGAAMAPTPOLB | |
| SCHEMBL15690208 | 0.78 | THRB (0.36) | ALDH1A1THRBGAAKDM4ELMNA | |
| SCHEMBL360133 | 0.77 | THRB (0.32) | ALDH1A1THRBGAAPOLB | |
| SCHEMBL360069 | 0.76 | MEN1 (0.32) | THRBPOLB | |
| SCHEMBL360695 | 0.75 | ALDH1A1 (0.51) | ALDH1A1THRBGAAMAPTKDM4E | |
| SCHEMBL14916432 | 0.75 | ALDH1A1 (0.48) | ALDH1A1THRBGAAMAPTKDM4E |
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-2012008528-A1 | PYRAZOLE COMPOUND | 大日本住友製薬株式会社 (JP) | 2012-01-19 | — | — | WO | disclosed |