Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 4/20 | 0.52 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | MAOA | P21397 | 3/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28260651 | 0.91 | PTGS2 (0.55) | PTGS2CA1CA2ABCB1ABCG2 | |
| SCHEMBL28260639 | 0.87 | PTGS2 (0.58) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28260646 | 0.86 | MAOA (0.58) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28736293 | 0.86 | CA1 (0.58) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28259511 | 0.86 | MAOB (0.64) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28260647 | 0.85 | KIF11 (0.58) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28259674 | 0.84 | MAOA (0.55) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28259013 | 0.83 | CA1 (0.57) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28258968 | 0.83 | CA1 (0.67) | PTGS2CA1CA2MAOAABCB1 | |
| SCHEMBL28736320 | 0.82 | MAOA (0.58) | PTGS2CA1CA2MAOAABCB1 |
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-109020888-A | A kind of microtubule polymerization inhibitor of the structure containing pyrazoline and its application | 南京大学 | 2018-12-18 | — | — | CN | claimed |
| CN-109020888-A | A kind of microtubule polymerization inhibitor of the structure containing pyrazoline and its application | 南京大学 | 2018-12-18 | — | — | CN | disclosed |