Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.61 |
| ▸ | CA1 | P00915 | 5/20 | 0.58 |
| ▸ | CA2 | P00918 | 5/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALOX12 | P18054 | 3/20 | 0.54 |
| ▸ | RAB9A | P51151 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | DHFR | P00374 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10112945 | 0.81 | CA1 (0.78) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL10279777 | 0.81 | CA1 (0.74) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL7696472 | 0.80 | ALDH1A1 (0.54) | ALDH1A1CA1CA2ALOX12SMN1; SMN2 | |
| SCHEMBL10113013 | 0.79 | ALDH1A1 (0.66) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL10112972 | 0.79 | ALDH1A1 (0.66) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL7696405 | 0.78 | CA12 (0.46) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL10113034 | 0.78 | DHFR (0.76) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL10112998 | 0.78 | CA12 (0.73) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL10113008 | 0.77 | ALDH1A1 (0.64) | ALDH1A1CA1CA2CA12CA7 | |
| SCHEMBL19590936 | 0.77 | ALDH1A1 (1.00) | ALDH1A1CA1CA2CA12CA7 |
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 | claimed |