Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 4/20 | 0.81 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.70 |
| ▸ | MAOA | P21397 | 5/20 | 0.65 |
| ▸ | LMNA | P02545 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.63 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | ATM | Q13315 | 1/20 | 0.60 |
| ▸ | CA1 | P00915 | 1/20 | 0.60 |
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL28736488 | 0.92 | MAOB (0.69) | MAOBKMT2AMAOALMNAMAPT | |
| SCHEMBL28259511 | 0.89 | MAOB (0.64) | MAOBMAOACA1CA2 | |
| SCHEMBL13315397 | 0.85 | NPC1 (0.65) | MAOBMAOA | |
| SCHEMBL28260641 | 0.85 | MAOB (0.59) | MAOBKMT2AMAOAMAPK1NPSR1 | |
| SCHEMBL28259510 | 0.85 | MAOA (0.78) | MAOBKMT2AMAOALMNAMAPT | |
| SCHEMBL28258968 | 0.83 | CA1 (0.67) | MAOBKMT2AMAOACA1CA2 | |
| SCHEMBL22420546 | 0.83 | MAOB (0.72) | MAOBKMT2AMAOAMEN1ATM | |
| SCHEMBL28258966 | 0.82 | MAOB (0.55) | MAOBMAOAMAPK1ATM | |
| SCHEMBL3308921 | 0.80 | MAOB (0.83) | MAOBKMT2AMAOAMAPTCA1 | |
| SCHEMBL21440072 | 0.80 | MAOB (0.81) | MAOBKMT2AMAOAMEN1ATM |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109020888-B | Pyrazoline structure-containing microtubule polymerization inhibitor and application thereof | 南京大学 | 2021-11-16 | — | — | 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 | claimed |
| CN-109020888-B | Pyrazoline structure-containing microtubule polymerization inhibitor and application thereof | 南京大学 | 2021-11-16 | — | — | CN | disclosed |
| 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 |