Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSEN1 | P49768 | 1/20 | 0.41 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.41 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.41 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.41 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.41 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CFTR | P13569 | 2/20 | 0.35 |
| ▸ | MGLL | Q99685 | 1/20 | 0.35 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.34 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.33 |
| ▸ | PARP15 | Q460N3 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8256645 | 0.81 | MRGPRX4 (0.46) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL14301114 | 0.79 | KMT2A (0.54) | ALDH1A1MAOBAOC3ADRB3KMT2A | |
| SCHEMBL6527647 | 0.78 | APP (0.45) | PSEN1PSEN2APH1BNCSTNAPH1A | |
| SCHEMBL31552396 | 0.74 | ALDH1A1 (0.48) | ALDH1A1MAOBAOC3KMT2A | |
| SCHEMBL31552390 | 0.74 | ALDH1A1 (0.48) | ALDH1A1HDAC1HDAC6MAOBAOC3 | |
| SCHEMBL27995830 | 0.74 | MAOB (0.36) | ALDH1A1HDAC1HDAC6CYP1A2MAOB | |
| SCHEMBL27995828 | 0.74 | MAOB (0.36) | ALDH1A1HDAC1HDAC6CYP1A2MAOB | |
| SCHEMBL9501793 | 0.73 | ALDH1A1 (0.41) | ALDH1A1HDAC1HDAC6 | |
| SCHEMBL13862109 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAOBPARP10ADRB3KMT2A | |
| SCHEMBL9114780 | 0.73 | MTNR1A (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1622912-B1 | 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS | SCHERING CORP (US) | 2009-05-27 | — | — | EP | disclosed |