Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.84 |
| ▸ | NPC1 | O15118 | 2/20 | 0.84 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.74 |
| ▸ | MAOA | P21397 | 3/20 | 0.74 |
| ▸ | MAOB | P27338 | 3/20 | 0.74 |
| ▸ | PPARG | P37231 | 1/20 | 0.74 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.74 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.74 |
| ▸ | MEN1 | O00255 | 4/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.70 |
| ▸ | MAPT | P10636 | 2/20 | 0.65 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 1/20 | 0.64 |
| ▸ | GAA | P10253 | 1/20 | 0.64 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.64 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.64 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL28807420 | 0.95 | MAOA (0.82) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL27918013 | 0.88 | MAOA (0.72) | RAB9ANPC1MAOAMAOBMEN1 | |
| SCHEMBL28259510 | 0.85 | MAOA (0.78) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL14540886 | 0.84 | MEN1 (0.83) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL14540884 | 0.84 | KMT2A (0.87) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL14541074 | 0.83 | KMT2A (0.82) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL27918165 | 0.83 | KMT2A (0.61) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL13315397 | 0.80 | NPC1 (0.65) | RAB9ANPC1MAOAMAOB | |
| SCHEMBL9514571 | 0.80 | MEN1 (0.78) | RAB9ANPC1ALDH1A1MAOAMAOB | |
| SCHEMBL15301347 | 0.80 | MEN1 (0.82) | RAB9ANPC1ALDH1A1PPARGNCOA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103304546-A | Pyrazoline derivatives comprising 1,4-benzodioxan structure, and preparation method and application thereof | NANJING UNIVERSITY OF TECHNOLOGY | 2013-09-18 | — | — | CN | disclosed |