Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | MEN1 | O00255 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.54 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | PRNP | P04156 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6447691 | 0.84 | ADORA1 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6440789 | 0.83 | ALDH1A1 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6444728 | 0.80 | ADORA1 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6441963 | 0.80 | ADORA1 (0.62) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6441748 | 0.78 | ADORA1 (0.54) | ALDH1A1MEN1KMT2AKDM4EADORA1 | |
| SCHEMBL6443228 | 0.77 | ALDH1A1 (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6444586 | 0.71 | MEN1 (0.55) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL6440764 | 0.71 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL27573284 | 0.71 | ADORA1 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6446789 | 0.70 | MEN1 (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19ALDH1A1 |
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 | CYP1A2 339/4885CYP3A4 333/4885CYP2C9 992/4885 |
“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.