Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.62 |
| ▸ | CA2 | P00918 | 4/20 | 0.62 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | RAB9A | P51151 | 1/20 | 0.61 |
| ▸ | MAOA | P21397 | 2/20 | 0.57 |
| ▸ | MAOB | P27338 | 2/20 | 0.57 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.56 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL23052167 | 0.91 | NPC1 (0.71) | NPC1RAB9AMAOAMAOBABCB1 | |
| SCHEMBL23052465 | 0.91 | NPC1 (0.71) | NPC1RAB9AMAOAMAOBABCB1 | |
| SCHEMBL28260640 | 0.91 | MAOB (0.67) | CA1CA2MAOAMAOBABCB1 | |
| SCHEMBL28260637 | 0.90 | CA1 (0.61) | CA1CA2NPC1RAB9AMAOA | |
| SCHEMBL28258967 | 0.89 | CA1 (0.59) | CA1CA2MAOAMAOBABCB1 | |
| SCHEMBL28260653 | 0.89 | CA1 (0.71) | CA1CA2MAOAMAOBABCB1 | |
| SCHEMBL28260648 | 0.88 | PTGS2 (0.58) | CA1CA2MAOAMAOBABCB1 | |
| SCHEMBL28736399 | 0.87 | MAOA (0.62) | CA1CA2NPC1RAB9AMAOA | |
| SCHEMBL28736288 | 0.84 | CA1 (0.55) | CA1CA2NPC1RAB9AMAOA | |
| SCHEMBL28736331 | 0.84 | NPC1 (0.57) | CA1CA2NPC1RAB9AMAOA |
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 |