Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | GFER | P55789 | 1/20 | 0.52 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 8/20 | 0.51 |
| ▸ | RAB9A | P51151 | 8/20 | 0.51 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.49 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | GLA | P06280 | 1/20 | 0.46 |
| ▸ | SLC2A1 | P11166 | 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 | |
|---|---|---|---|---|
| SCHEMBL27522705 | 0.80 | ADRA2C (0.54) | ADRA2CKDM1A | |
| SCHEMBL14922259 | 0.79 | ADRB1 (0.52) | ALDH1A1KDM4ESIRT6TSHRKDM1A | |
| SCHEMBL18539269 | 0.77 | ADRA2C (0.64) | ALDH1A1ADRA2CGAAKMT2AKDM4E | |
| SCHEMBL2264251 | 0.77 | ADRA2C (0.59) | ALDH1A1ADRA2CGAAKMT2AKDM4E | |
| SCHEMBL27773145 | 0.77 | NPC1 (0.40) | ALDH1A1ADRA2CKDM4ENPC1RAB9A | |
| SCHEMBL28933198 | 0.76 | NAMPT (0.42) | ALDH1A1GAAKMT2AKDM4EMAPT | |
| SCHEMBL5536262 | 0.75 | ALDH1A1 (0.61) | ALDH1A1ADRA2CGAAKMT2AKDM4E | |
| SCHEMBL5536255 | 0.75 | NPC1 (0.54) | ALDH1A1ADRA2CGAAKMT2AKDM4E | |
| SCHEMBL28743313 | 0.74 | HTR6 (0.45) | GAAKMT2AKDM4EMAPTNPC1 | |
| SCHEMBL10426116 | 0.74 | ALDH1A1 (0.59) | ALDH1A1ADRA2CGAAKMT2AKDM4E |
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-110914234-B | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-110914234-A | Amine compound for inhibiting SSAO/VAP-1 and application thereof in medicine | 广东东阳光药业有限公司 | 2020-03-24 | — | — | CN | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |