Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.35 |
| ▸ | CCND1 | P24385 | 2/20 | 0.35 |
| ▸ | CCND2 | P30279 | 1/20 | 0.35 |
| ▸ | CCND3 | P30281 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | BRD4 | O60885 | 1/20 | 0.30 |
| ▸ | TAF1 | P21675 | 1/20 | 0.30 |
| ▸ | BRPF1 | P55201 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28339794 | 0.83 | CA1 (0.46) | PKMALDH1A1SMN1; SMN2 | |
| SCHEMBL2603746 | 0.80 | POLB (0.40) | ALDH1A1KDM4EMAPTL3MBTL1GAA | |
| SCHEMBL28328177 | 0.80 | GPR84 (0.31) | — | |
| SCHEMBL2930014 | 0.77 | BRD4 (0.32) | ALDH1A1MAPTBRD4TAF1BRPF1 | |
| SCHEMBL27989702 | 0.77 | BRD4 (0.32) | ALDH1A1MAPTBRD4TAF1BRPF1 | |
| SCHEMBL27628887 | 0.74 | MAPT (0.38) | ALDH1A1KDM4EMAPTGAA | |
| SCHEMBL26779814 | 0.71 | TSHR (0.40) | ALDH1A1SMN1; SMN2MAPTTDP1TSHR | |
| SCHEMBL30178481 | 0.71 | — | — | |
| SCHEMBL29068033 | 0.69 | PDE4B (0.39) | PKMSIRT5ALDH1A1SMN1; SMN2 | |
| SCHEMBL301397 | 0.69 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1444233-A2 | A 2B? ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003042214-A2 | A2B ADENOSINE RECEPTOR ANTAGONISTS | CV THERAPEUTICS, INC. (US) | 2003-05-22 | — | — | WO | disclosed |
| US-5545547-A | SYNERGISTIC MIXTURE CONTAINING DEPOLYNERASE | KOLATTUKUDY PAPPACHAN (US) | 1996-08-13 | — | — | US | disclosed |