Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | GAA | P10253 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | PTK2B | Q14289 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | GFER | P55789 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.42 |
| ▸ | SIRT6 | Q8N6T7 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14922288 | 0.92 | KDM4E (0.49) | HTR3AKDM4EGAAMAPTPTK2B | |
| SCHEMBL14922247 | 0.80 | ADRB1 (0.49) | HTR3AMAPTHTTALDH1A1PDK2 | |
| SCHEMBL29671585 | 0.76 | S100B (0.43) | GAAMAPTMAPK1HTTRECQL | |
| SCHEMBL13727501 | 0.76 | NPC1 (0.59) | HTR3AKDM4EGAAMAPTPTK2B | |
| SCHEMBL14922286 | 0.76 | SMN1; SMN2 (0.59) | HTR3AKDM4EGAAMAPTPTK2B | |
| SCHEMBL14922242 | 0.72 | ADRB1 (0.47) | HTR3AMAPTHTTALDH1A1PDK2 | |
| SCHEMBL4823910 | 0.72 | KMT2A (0.46) | HTR3AKDM4EGAAMAPTPTK2B | |
| SCHEMBL20907320 | 0.71 | NPC1 (0.54) | HTTKMT2AMEN1ADRA2CALDH1A1 | |
| SCHEMBL30066045 | 0.71 | KDM4E (0.44) | HTR3AKDM4EGAAMAPTPTK2B | |
| SCHEMBL19700540 | 0.70 | GAA (0.46) | HTR3AKDM4EGAAMAPTPTK2B |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |