Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHKA | P35790 | 2/20 | 0.62 |
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.55 |
| ▸ | F10 | P00742 | 2/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.50 |
| ▸ | HTR3B | O95264 | 1/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL2056127 | 0.92 | GAA (0.63) | CHKAGAAALDH1A1MAPTKDM4E | |
| SCHEMBL24103508 | 0.85 | SIGMAR1 (0.64) | LMNAGAAALDH1A1MAPTKDM4E | |
| SCHEMBL82022 | 0.82 | CHKA (0.64) | CHKANCF1LMNAGAAALDH1A1 | |
| SCHEMBL15247182 | 0.81 | CHKA (0.58) | CHKANCF1LMNAGAAALDH1A1 | |
| SCHEMBL1822749 | 0.81 | HTR3E (0.64) | CHKALMNAGAAALDH1A1MAPT | |
| SCHEMBL870704 | 0.81 | HTR3E (0.70) | LMNAGAAALDH1A1MAPTKDM4E | |
| SCHEMBL29998630 | 0.81 | HTR3E (0.70) | LMNAGAAALDH1A1MAPTKDM4E | |
| SCHEMBL24518338 | 0.81 | CHKA (0.62) | CHKANCF1LMNAGAAALDH1A1 | |
| SCHEMBL20907277 | 0.81 | CHKA (0.62) | CHKANCF1LMNAGAAALDH1A1 | |
| SCHEMBL217159 | 0.81 | MAPT (0.85) | CHKANCF1LMNAGAAALDH1A1 |
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 |