Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.56 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL28736370 | 0.94 | MAOB (0.58) | MAOAMAOBABCB1ABCG2CA1 | |
| SCHEMBL28736252 | 0.91 | MAOA (0.54) | MAOAMAOBABCB1ABCG2KMT2A | |
| SCHEMBL28736399 | 0.88 | MAOA (0.62) | NPC1RAB9AMAOAMAOBCA1 | |
| SCHEMBL28736320 | 0.88 | MAOA (0.58) | MAOAMAOBABCB1ABCG2CA1 | |
| SCHEMBL28736288 | 0.86 | CA1 (0.55) | NPC1RAB9AMAOACA1CA2 | |
| SCHEMBL28736360 | 0.85 | MAOA (0.68) | RAB9AMAOAMAOBABCB1ABCG2 | |
| SCHEMBL28260637 | 0.85 | CA1 (0.61) | NPC1RAB9AMAOAMAOBABCB1 | |
| SCHEMBL28260652 | 0.84 | CA1 (0.62) | NPC1RAB9AMAOAMAOBABCB1 | |
| SCHEMBL28736474 | 0.83 | MAOA (0.60) | MAOAMAOBABCB1ABCG2CA1 | |
| SCHEMBL23052465 | 0.82 | NPC1 (0.71) | NPC1RAB9AMAOAMAOBABCB1 |
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-B | Pyrazoline structure-containing microtubule polymerization inhibitor and application thereof | 南京大学 | 2021-11-16 | — | — | CN | claimed |
| CN-109020888-B | Pyrazoline structure-containing microtubule polymerization inhibitor and application thereof | 南京大学 | 2021-11-16 | — | — | CN | disclosed |