Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CD44 | P16070 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | PLAU | P00749 | 1/20 | 0.31 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.31 |
| ▸ | HTR5A | P47898 | 4/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL12045032 | 0.78 | HTR5A (0.36) | CD44ALDH1A1HPGDPLAUHTR5A | |
| SCHEMBL16111186 | 0.78 | TRPA1 (0.37) | PLAU | |
| SCHEMBL586180 | 0.74 | CD44 (0.42) | CD44ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL8527304 | 0.71 | CD44 (0.44) | CD44ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL518391 | 0.70 | PLAU (0.41) | TSHRPLAUHTR5A | |
| Hydrochloric Acid SCHEMBL9980683 | 0.70 | CD44 (0.42) | CD44ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL586954 | 0.69 | CD44 (0.47) | CD44ALDH1A1HPGDKDM4EMAPT | |
| Hydrochloric Acid SCHEMBL8823227 | 0.69 | PLAU (0.40) | TSHRPLAU | |
| SCHEMBL10348095 | 0.67 | CD44 (0.48) | CD44ALDH1A1HPGDKDM4EMAPT | |
| SCHEMBL12328333 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-2012500853-A | — | — | 2012-01-12 | — | — | JP | claimed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | claimed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | claimed |
| EP-2328871-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2011-06-08 | — | — | EP | disclosed |
| WO-2010027746-A2 | HEDGEHOG PATHWAY MODULATORS | IRM LLC (BM) | 2010-03-11 | — | — | WO | disclosed |