Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.46 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 7/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.41 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.41 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
| ▸ | PLA2G2A | P14555 | 2/20 | 0.41 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | KDM1A | O60341 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | F10 | P00742 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17672270 | 0.81 | PLA2G2A (0.59) | IDH1MEP1BPARP1PRSS1PRSS2 | |
| SCHEMBL10511729 | 0.79 | PARP1 (0.42) | PARP1MEN1KMT2A | |
| SCHEMBL4224616 | 0.76 | PLA2G2A (0.69) | IDH1MEP1BPARP1PRSS1PRSS2 | |
| SCHEMBL10516151 | 0.75 | MAOB (0.46) | PARP1HRH3MAOAMAOB | |
| SCHEMBL31557871 | 0.72 | PLA2G2A (0.58) | IDH1MEP1BPARP1PRSS1PRSS2 | |
| SCHEMBL29364575 | 0.72 | LOXL2 (0.66) | IDH1MEP1BPARP1PLA2G2APLA2G10 | |
| SCHEMBL2734990 | 0.72 | PRSS1 (0.66) | IDH1MEP1BPARP1PRSS1PRSS2 | |
| SCHEMBL7669024 | 0.72 | PARP1 (0.55) | IDH1MEP1BPARP1PRSS1PRSS2 | |
| SCHEMBL509423 | 0.72 | LOXL2 (0.66) | IDH1MEP1BPARP1PLA2G2APLA2G10 | |
| SCHEMBL28173296 | 0.71 | DAO (0.53) | KMT2A |
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-104059068-A | Beta-amino-carbonyl compound, preparation method, its pharmaceutical composition and application thereof | SHANGHAI INST MATERIA MEDICA | 2014-09-24 | — | — | CN | disclosed |