Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 7/20 | 0.78 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.61 |
| ▸ | TSHR | P16473 | 2/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | BLM | P54132 | 2/20 | 0.61 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.60 |
| ▸ | HTR2C | P28335 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.60 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.60 |
| ▸ | HTR2B | P41595 | 1/20 | 0.60 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463995 | 0.88 | ADORA3 (0.77) | ADORA3CYP3A4TSHRNFKB1BLM | |
| SCHEMBL30255375 | 0.87 | ADORA3 (1.00) | ADORA3CYP3A4TSHRNFKB1BLM | |
| SCHEMBL6451793 | 0.81 | CYP3A4 (0.73) | ADORA3CYP3A4TSHRNFKB1BLM | |
| SCHEMBL4801562 | 0.81 | SLC29A1 (0.78) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL5497088 | 0.81 | SLC29A1 (0.78) | ADORA3ADORA1ADORA2AADORA2B | |
| SCHEMBL6421905 | 0.81 | ADORA3 (0.58) | ADORA3TSHRBLMADORA1LMNA | |
| SCHEMBL9493927 | 0.79 | ADORA3 (0.70) | ADORA3TSHRBLMADORA1LMNA | |
| SCHEMBL29463993 | 0.79 | ADORA3 (0.84) | ADORA3CYP3A4TSHRNFKB1BLM | |
| SCHEMBL935807 | 0.77 | ADORA3 (0.78) | ADORA3MAPK1ADORA1CYP1A2MAPT | |
| SCHEMBL29464001 | 0.77 | ADORA3 (0.78) | ADORA3MAPK1ADORA1CYP1A2MAPT |
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 4 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-6514989-B1 | Has a good affinity to the adenosine receptor and can therefore be used for the treatment or protection of diseases mediated by this receptor | HOFFMANN-LA ROCHE INC. | 2003-02-04 | — | — | 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 | ADORA3 6/4885CYP3A4 333/4885TSHR 435/4885 |
“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.