Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8206551 | 0.90 | CA2 (0.37) | CA12CA14CA2MAOAMAOB | |
| SCHEMBL763067 | 0.84 | CA12 (0.38) | CA12CA14CA2MAOAMAOB | |
| SCHEMBL8206554 | 0.83 | CA2 (0.33) | CA12CA14CA2MAOAMAOB | |
| SCHEMBL8150221 | 0.80 | CA2 (0.36) | CA12CA14CA2MAOAMAOB | |
| SCHEMBL28061441 | 0.79 | HDAC6 (0.36) | CA12CA14CA2DGAT1CA1 | |
| SCHEMBL31092896 | 0.79 | ALDH1A1 (0.43) | TDP1 | |
| SCHEMBL12735830 | 0.76 | TDP1 (0.36) | CA12CA14CA2DGAT1CA1 | |
| Butane SCHEMBL8671193 | 0.74 | ALDH1A1 (0.46) | TDP1 | |
| SCHEMBL29004075 | 0.74 | RECQL (0.36) | CA12CA14CA2MAOAMAOB | |
| SCHEMBL7181935 | 0.74 | ALDH1A1 (0.58) | CA12CA14CA2DGAT1CA1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102471333-A | Novel thiophene carboxamide derivative and medicinal use of same | SANWA KAGAKU KENKYUSHO CO | 2012-05-23 | — | — | CN | disclosed |
| WO-2007066103-A1 | PYRIMIDINE DERIVATIVES AS CLASS I PI3K INHIBITOR | ASTRAZENECA AB (SE) | 2007-06-14 | — | — | WO | disclosed |