Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.34 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.34 |
| ▸ | GRM5 | P41594 | 3/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SQOR | Q9Y6N5 | 2/20 | 0.32 |
| ▸ | LCK | P06239 | 1/20 | 0.31 |
| ▸ | KIT | P10721 | 1/20 | 0.31 |
| ▸ | SRC | P12931 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6441301 | 0.86 | ADORA2A (0.44) | ADORA2ANLRP3GABRA1GABRG2GABRB3 | |
| SCHEMBL6441674 | 0.83 | ADORA2A (0.46) | ADORA2ANLRP3GABRA1GABRG2GABRB3 | |
| SCHEMBL6442325 | 0.82 | NLRP3 (0.42) | ADORA2AHSP90AA1HSP90AB1NLRP3GRM5 | |
| SCHEMBL6444568 | 0.77 | ADORA2A (0.43) | ADORA2ANLRP3GRM5SQORTLR7 | |
| SCHEMBL6442519 | 0.77 | MGMT (0.46) | ADORA2AGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6441693 | 0.76 | ADORA2A (0.46) | ADORA2AGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL6467274 | 0.76 | ADORA2A (0.44) | ADORA2ASQORADORA1NPC1RAB9A | |
| SCHEMBL6444357 | 0.75 | SQOR (0.37) | ADORA2AGABRA1GABRG2GABRB3GABRA5 | |
| SCHEMBL5131946 | 0.72 | ADORA2A (0.48) | ADORA2APOLBALDH1A1HPGDKDM4E | |
| SCHEMBL6441954 | 0.71 | ADORA2A (0.46) | ADORA2AGABRA1GABRG2GABRB3GABRA5 |
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-1261327-B1 | ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2005-04-27 | — | — | EP | disclosed |
| US-6586441-B2 | 2-Amino-6-benzylsulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbo -nitrile as an examplary preferred compound; Alzheimer's and Parkinson's diseases; neuroprotectors; schizophrenia, analgesics; anxiolytic agents; respiratory disorders | HOFFMAN-LA ROCHE INC. | 2003-07-01 | — | — | US | disclosed |
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | F. HOFFMANN-LA ROCHE AG (CH) | 2001-10-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20010027196-A1 | Adenosine receptor ligands and their use in the treatment of disease | ADORA2A, ADORA2B, ADORA1 | ADORA2A 1/4885HSP90AA1 1714/4885HSP90AB1 1866/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.