Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.36 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.36 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.36 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7694629 | 0.87 | PTPN1 (0.47) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7689580 | 0.83 | PTPN1 (0.45) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7697267 | 0.82 | ALDH1A1 (0.49) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7693839 | 0.79 | CA12 (0.48) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7688994 | 0.75 | CA12 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10113033 | 0.75 | CA12 (0.58) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL7691932 | 0.74 | CA12 (0.47) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7696347 | 0.72 | CA12 (0.47) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL7696410 | 0.72 | CA12 (0.55) | ALDH1A1PTPN1CA12CA1CA2 | |
| SCHEMBL10113038 | 0.68 | CA1 (0.59) | ALDH1A1CA12CA1CA2CA7 |
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-2002066443-A2 | 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-08-29 | — | — | WO | disclosed |