Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 2/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | TLR9 | Q9NR96 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.48 |
| ▸ | CNR1 | P21554 | 1/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6444222 | 0.85 | ALDH1A1 (0.63) | ACHEADORA1ADORA2AHIF1ACYP3A4 | |
| SCHEMBL6443228 | 0.84 | ALDH1A1 (0.57) | ACHEADORA1ADORA2ACYP3A4CYP1A2 | |
| SCHEMBL6441934 | 0.83 | ADORA1 (0.55) | ACHEADORA1ADORA2ACYP3A4CYP1A2 | |
| SCHEMBL10706449 | 0.80 | ACHE (0.62) | ACHEHIF1ACYP3A4CYP1A2CYP2D6 | |
| SCHEMBL6441739 | 0.78 | ADORA1 (0.61) | ADORA1ADORA2A | |
| SCHEMBL6443028 | 0.77 | ADORA1 (0.60) | ADORA1ADORA2AALDH1A1TDP1KDM4E | |
| SCHEMBL6443635 | 0.75 | ADORA1 (0.57) | ADORA1ADORA2AALDH1A1LMNAKDM4E | |
| SCHEMBL6446329 | 0.75 | ALDH1A1 (0.52) | ADORA1ADORA2AHIF1AALDH1A1LMNA | |
| SCHEMBL14233404 | 0.75 | TLR9 (0.71) | HIF1ACYP3A4CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6447580 | 0.75 | KDM4E (0.75) | ADORA1ADORA2AALDH1A1MAPK1LMNA |
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 5 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 |
| 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 | ACHE 39/4885ADORA1 3/4885ADORA2A 1/4885 |
“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.