Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.68 |
| ▸ | HTR2A | P28223 | 4/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.68 |
| ▸ | HTR1A | P08908 | 2/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | HTR3A | P46098 | 3/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.46 |
| ▸ | HTR3B | O95264 | 2/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.46 |
| ▸ | HTR2B | P41595 | 3/20 | 0.42 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.42 |
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 | 0.85 | HTR2C (0.46) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Mk-212 SCHEMBL255453 | 0.82 | HTR2A (1.00) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Mk-212 SCHEMBL29389957 | 0.82 | HTR2A (1.00) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Mk-212 SCHEMBL3060615 | 0.81 | HTR2A (0.96) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Mk-212 SCHEMBL12503246 | 0.79 | HTR2A (0.93) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Tert-Butyl Formate SCHEMBL27896719 | 0.79 | CNR2 (0.44) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Tert-Butyl Formate SCHEMBL27835002 | 0.78 | ALDH1A1 (0.41) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| SCHEMBL6360772 | 0.77 | ALDH1A1 (0.87) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Tert-Butyl Formate SCHEMBL27815217 | 0.76 | KDM4E (0.46) | HTR2CHTR2AALDH1A1HTR1AKDM4E | |
| Tert-Butyl Formate SCHEMBL27885957 | 0.76 | KMT2A (0.44) | HTR2CHTR2AALDH1A1HTR1AKDM4E |
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-102046601-B | Benzene or thiophene derivative and use thereof as VAP-1 inhibitor | R TECH UENO LTD | 2014-08-27 | — | — | 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 |