Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGMT | P16455 | 1/20 | 0.48 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.40 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | SQOR | Q9Y6N5 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 2/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6441414 | 0.88 | MGMT (0.55) | MGMTADORA1ADORA2ATLR7TLR8 | |
| SCHEMBL6442328 | 0.88 | SQOR (0.39) | MGMTADORA1ADORA2AKDM4EALOX15 | |
| SCHEMBL6441608 | 0.88 | ADORA2A (0.41) | MGMTGRM5ADORA1ADORA2ATLR7 | |
| SCHEMBL5041645 | 0.88 | ADORA1 (0.57) | MGMTADORA1ADORA2ASQOR | |
| SCHEMBL5044782 | 0.83 | ADORA2A (0.56) | MGMTADORA1ADORA2AKDM4EL3MBTL1 | |
| SCHEMBL5041663 | 0.83 | ADORA2A (0.56) | MGMTADORA1ADORA2AKDM4EALDH1A1 | |
| SCHEMBL6443053 | 0.83 | ADORA2A (0.60) | MGMTADORA1ADORA2AKDM4EL3MBTL1 | |
| SCHEMBL6443034 | 0.83 | SQOR (0.41) | ADORA1ADORA2AKDM4ESQOR | |
| SCHEMBL6443037 | 0.82 | SQOR (0.51) | MGMTADORA1ADORA2ATLR7TLR8 | |
| SCHEMBL6441885 | 0.82 | MGMT (0.53) | MGMTADORA1ADORA2ATLR7TLR8 |
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 | MGMT 3075/4885GRM5 509/4885ADORA1 3/4885 |
“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.