Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.87 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.87 |
| ▸ | HTR2C | P28335 | 10/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | HTR6 | P50406 | 1/20 | 0.48 |
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | JAK3 | P52333 | 1/20 | 0.46 |
| ▸ | QDPR | P09417 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9351912 | 0.96 | SLC18A3 (0.80) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| SCHEMBL2300489 | 0.94 | SLC18A3 (0.83) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| SCHEMBL23638807 | 0.94 | SLC18A3 (0.83) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Benzene SCHEMBL28128069 | 0.93 | SLC18A3 (1.00) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| SCHEMBL4574 | 0.93 | SLC18A3 (1.00) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Hydrochloric Acid SCHEMBL2264294 | 0.92 | SLC18A3 (0.80) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Piperazine SCHEMBL27350525 | 0.91 | SLC18A3 (0.95) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Hydrogen Sulfide SCHEMBL27710844 | 0.91 | SLC18A3 (0.95) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Hydrochloric Acid SCHEMBL1481633 | 0.91 | SLC18A3 (0.95) | SLC18A3SIGMAR1HTR2CHPGDKMT2A | |
| Piperidine SCHEMBL28886759 | 0.89 | SLC18A3 (0.69) | SLC18A3SIGMAR1HTR2CHPGDKMT2A |
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-103724269-A | Phenyl 1, 2-isoxazole or phenyl 1, 2-pyrazole compound and application thereof | SHANGHAI INST MATERIA MEDICA | 2014-04-16 | — | — | CN | disclosed |
| CN-102190535-A | Method for synthesizing E-alpha-cyan-4-substituted cinnamate compounds | UNIV EAST CHINA SCIENCE & TECH | 2011-09-21 | — | — | CN | disclosed |