Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.82 |
| ▸ | MAOB | P27338 | 2/20 | 0.82 |
| ▸ | RAB9A | P51151 | 2/20 | 0.76 |
| ▸ | NPC1 | O15118 | 1/20 | 0.76 |
| ▸ | HTT | P42858 | 3/20 | 0.71 |
| ▸ | LMNA | P02545 | 1/20 | 0.71 |
| ▸ | GAA | P10253 | 1/20 | 0.71 |
| ▸ | MAPT | P10636 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.70 |
| ▸ | MEN1 | O00255 | 3/20 | 0.70 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.67 |
| ▸ | HPGD | P15428 | 2/20 | 0.67 |
| ▸ | PPARG | P37231 | 1/20 | 0.67 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.67 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.67 |
| ▸ | CA1 | P00915 | 1/20 | 0.67 |
| ▸ | CA2 | P00918 | 1/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL27936473 | 0.95 | RAB9A (0.84) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL28259510 | 0.90 | MAOA (0.78) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL14540884 | 0.89 | KMT2A (0.87) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL14540886 | 0.89 | MEN1 (0.83) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL27918013 | 0.88 | MAOA (0.72) | MAOAMAOBRAB9ANPC1KMT2A | |
| SCHEMBL14541214 | 0.84 | MEN1 (0.76) | MAOAMAOBRAB9AHTTLMNA | |
| SCHEMBL18651478 | 0.83 | MAOA (0.68) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL27918010 | 0.83 | CACNA1H (0.73) | MAOAMAOBKDM4EALDH1A1CA1 | |
| SCHEMBL14540885 | 0.82 | KDM4E (0.75) | MAOAMAOBRAB9ANPC1HTT | |
| SCHEMBL14541074 | 0.81 | KMT2A (0.82) | MAOAMAOBRAB9ANPC1HTT |
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 |