Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.78 |
| ▸ | MAOB | P27338 | 2/20 | 0.78 |
| ▸ | RAB9A | P51151 | 2/20 | 0.72 |
| ▸ | NPC1 | O15118 | 1/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.69 |
| ▸ | MEN1 | O00255 | 3/20 | 0.69 |
| ▸ | HTT | P42858 | 2/20 | 0.69 |
| ▸ | MAPT | P10636 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 1/20 | 0.68 |
| ▸ | GAA | P10253 | 1/20 | 0.68 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | CA1 | P00915 | 1/20 | 0.64 |
| ▸ | CA2 | P00918 | 1/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL13315397 | 0.91 | NPC1 (0.65) | MAOAMAOBRAB9ANPC1 | |
| SCHEMBL28807420 | 0.90 | MAOA (0.82) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL14540884 | 0.87 | KMT2A (0.87) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL14540886 | 0.87 | MEN1 (0.83) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL27936473 | 0.85 | RAB9A (0.84) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL28260643 | 0.85 | MAOB (0.81) | MAOAMAOBKMT2AMEN1MAPT | |
| SCHEMBL28736488 | 0.84 | MAOB (0.69) | MAOAMAOBKMT2AMAPTLMNA | |
| SCHEMBL28258966 | 0.82 | MAOB (0.55) | MAOAMAOBRAB9ANPC1 | |
| SCHEMBL28259511 | 0.82 | MAOB (0.64) | MAOAMAOBCA1CA2 | |
| SCHEMBL14541214 | 0.82 | MEN1 (0.76) | MAOAMAOBRAB9AKMT2AMEN1 |
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 3 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-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 |