Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA3 | P07451 | 3/20 | 0.48 |
| ▸ | CA5A | P35218 | 3/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.48 |
| ▸ | CA12 | O43570 | 2/20 | 0.48 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | CA4 | P22748 | 2/20 | 0.48 |
| ▸ | CA6 | P23280 | 2/20 | 0.48 |
| ▸ | CA7 | P43166 | 2/20 | 0.48 |
| ▸ | CA9 | Q16790 | 2/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.48 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL7766501 | 0.94 | PAOX (0.48) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL1309431 | 0.91 | TDP1 (0.42) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL7555892 | 0.89 | MAOA (0.55) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL727924 | 0.89 | CA12 (0.56) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL22113740 | 0.89 | PAOX (0.61) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL6286823 | 0.89 | PAOX (0.50) | PAOX | |
| SCHEMBL6285153 | 0.85 | CYP2C19 (0.52) | CA3CA5ACA5BCA12CA2 | |
| Cyclohexane SCHEMBL6512764 | 0.85 | PAOX (0.42) | CA3CA5ACA5BCA12CA2 | |
| SCHEMBL1837224 | 0.85 | KDM4E (0.48) | CA5ACA12CA2CA9PAOX | |
| SCHEMBL6285171 | 0.84 | PAOX (0.55) | PAOX |
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-2018060015-A1 | STAR-SHAPED STYRENE POLYMERS WITH ENHANCED GLASS TRANSITION TEMPERATURE | BASF SE (DE) | 2018-04-05 | — | — | WO | disclosed |