Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 1/20 | 0.49 |
| ▸ | DRD2 | P14416 | 5/20 | 0.41 |
| ▸ | DRD3 | P35462 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 6/20 | 0.37 |
| ▸ | CDK1 | P06493 | 1/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2092625 | 0.75 | ADRB1 (0.59) | ADRB1MAPTGAATP53LMNA | |
| SCHEMBL2092622 | 0.74 | ADRB1 (0.58) | ADRB1DRD2DRD3MAPTGAA | |
| SCHEMBL5800611 | 0.72 | NOTUM (0.55) | ADRB1MAPTGAATRPV1NPSR1 | |
| SCHEMBL29218858 | 0.71 | GAA (0.63) | ADRB1MAPTGAALMNARAD52 | |
| SCHEMBL24140572 | 0.70 | ADRB1 (0.68) | ADRB1MAPTGAATP53LMNA | |
| SCHEMBL3539353 | 0.70 | ADRB1 (0.68) | ADRB1MAPTGAATP53LMNA | |
| SCHEMBL22754166 | 0.70 | L3MBTL3 (0.68) | ADRB1 | |
| SCHEMBL21533588 | 0.70 | LGMN (0.69) | MAPTLMNAALDH1A1MEN1RAB9A | |
| SCHEMBL22818552 | 0.69 | ADRB1 (0.66) | ADRB1MAPTGAATP53LMNA | |
| SCHEMBL8390975 | 0.69 | ADRB1 (0.66) | ADRB1MAPTGAATP53LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2024380-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | Adenosine Therapeutics, LLC (US) | 2009-02-18 | — | — | EP | disclosed |
| WO-2007136817-A2 | SUBSTITUTED ARYL PIPERIDINYLALKYNYLADENOSINES AS A2AR AGONISTS | ADENOSINE THERAPEUTICS, LLC (US) | 2007-11-29 | — | — | WO | disclosed |