Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.41 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14930583 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL7478058 | 1.00 | ALDH1A1 (0.50) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL20203666 | 0.94 | ALDH1A1 (0.57) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL7107767 | 0.94 | ALDH1A1 (0.57) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL14291922 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HPGDGAATSHRHSD17B10 | |
| SCHEMBL20837322 | 0.82 | ALDH1A1 (0.49) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL9127779 | 0.80 | ALDH1A1 (0.47) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL26258441 | 0.79 | KMT2A (0.48) | ALDH1A1HPGDGAATSHRHSD17B10 | |
| SCHEMBL13652928 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HPGDGAATSHRPOLB | |
| SCHEMBL4021879 | 0.78 | HPGD (0.52) | ALDH1A1HPGDGAATSHRPOLB |
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-2012061552-A1 | NOVEL INHIBITORS OF HEPATITIS C VIRUS | THERAVANCE, INC. (US) | 2012-05-10 | — | — | WO | disclosed |