Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.47 |
| ▸ | HTR3B | O95264 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HTR3A | P46098 | 2/20 | 0.47 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.47 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.41 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | HTR6 | P50406 | 3/20 | 0.40 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27829478 | 0.84 | HTR2C (0.46) | ALDH1A1HTR3AHRH4HTR6HTR2C | |
| SCHEMBL1433085 | 0.83 | HTR3E (0.64) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27981868 | 0.82 | ADRB2 (0.45) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL17610076 | 0.82 | ALDH1A1 (0.62) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| Hydrochloric Acid SCHEMBL29574271 | 0.82 | ALDH1A1 (0.62) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27815225 | 0.79 | HTR6 (0.55) | HRH4HTR6HTR2CKDM4EADRB1 | |
| Tert-Butyl Formate SCHEMBL27815221 | 0.78 | SCN9A (0.42) | HRH4 | |
| Tert-Butyl Formate SCHEMBL27835007 | 0.78 | ALDH1A1 (0.46) | HTR3EHTR3BALDH1A1HTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27772208 | 0.77 | PPARG (0.43) | HRH4GRIN2DGRIN3BGRIN1GRIN2A | |
| Tert-Butyl Formate SCHEMBL27829481 | 0.76 | ADRB1 (0.48) | HRH4ADRB1HTTPLD1HRH3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102046601-B | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2014-08-27 | — | — | CN | disclosed |
| CN-102137856-A | 2, 4' -bipyridine compounds as protein kinase D inhibitors useful for the treatment of IA heart failure and cancer | NOVARTIS AG | 2011-07-27 | — | — | CN | disclosed |
| CN-102046601-A | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2011-05-04 | — | — | CN | disclosed |