Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.49 |
| ▸ | CHKA | P35790 | 1/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.45 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.45 |
| ▸ | CDK4 | P11802 | 3/20 | 0.42 |
| ▸ | CCND3 | P30281 | 3/20 | 0.42 |
| ▸ | GSK3B | P49841 | 3/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | CCNA2 | P20248 | 7/20 | 0.42 |
| ▸ | CDK2 | P24941 | 7/20 | 0.42 |
| ▸ | CCNA1 | P78396 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | SIRT6 | Q8N6T7 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12141731 | 0.87 | ASIC3 (0.50) | ASIC3PDE3BPDE3ACDK4CCND3 | |
| SCHEMBL251465 | 0.85 | ASIC3 (0.49) | ASIC3CHKAPDE3BPDE3ACDK4 | |
| SCHEMBL10088914 | 0.85 | NOTUM (0.47) | — | |
| SCHEMBL12141713 | 0.80 | AKR1C3 (0.48) | ASIC3PDE3BPDE3ACCNA2CDK2 | |
| SCHEMBL250792 | 0.80 | TRPV1 (0.46) | ASIC3PDE3BPDE3ACDK4CCND3 | |
| SCHEMBL24309870 | 0.80 | ASIC3 (0.52) | ASIC3PDE3BPDE3ACDK4CCND3 | |
| SCHEMBL14922289 | 0.80 | CHKA (0.50) | CHKAALDH1A1L3MBTL1 | |
| SCHEMBL14922283 | 0.78 | CHKA (0.51) | CHKAALDH1A1L3MBTL1 | |
| SCHEMBL12017807 | 0.78 | ADRB2 (0.55) | ASIC3PDE3BPDE3ACDK4CCND3 | |
| SCHEMBL29959068 | 0.77 | MAPT (0.59) | ASIC3PDE3BPDE3ACDK4CCND3 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE44205-E1 | Adenosine A2a receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2013-05-07 | — | — | US | disclosed |