Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 15/20 | 0.52 |
| ▸ | ADORA1 | P30542 | 7/20 | 0.52 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | MGMT | P16455 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | MPO | P05164 | 1/20 | 0.47 |
| ▸ | TPO | P07202 | 1/20 | 0.47 |
| ▸ | EPX | P11678 | 1/20 | 0.47 |
| ▸ | CDK1 | P06493 | 2/20 | 0.46 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.46 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 2/20 | 0.46 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5040124 | 0.88 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3MPO | |
| SCHEMBL5041651 | 0.87 | ADORA2A (0.53) | ADORA2AADORA1ADORA2BADORA3MPO | |
| SCHEMBL7144843 | 0.85 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BADORA3MGMT | |
| SCHEMBL7147379 | 0.85 | ADORA2A (0.49) | ADORA2AADORA1ADORA2BADORA3MGMT | |
| SCHEMBL7149520 | 0.84 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3MGMT | |
| SCHEMBL5039831 | 0.82 | MGMT (0.65) | ADORA2AADORA1MGMTCDK1CCNB1 | |
| SCHEMBL5046632 | 0.82 | ADORA2A (0.62) | ADORA2AADORA1ADORA2BADORA3MGMT | |
| Ammonia Solution, Strong SCHEMBL7147942 | 0.77 | ADORA2A (0.51) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL7397486 | 0.75 | PDE5A (0.51) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL5036755 | 0.75 | ALDH1A1 (0.54) | ADORA2AADORA1ADORA2BADORA3MPO |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1261327-A2 | ADENOSINE RECEPTOR MODULATORS | F.HOFFMANN-LA ROCHE AG (CH) | 2002-12-04 | — | — | EP | 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 |
| WO-2001062233-A2 | ADENOSINE RECEPTOR MODULATORS | F. HOFFMANN LA ROCHE AG (CH) | 2001-08-30 | — | — | WO | 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 1/4885ADORA1 3/4885ADORA2B 2/4885 |
“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.