Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 14/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 12/20 | 0.63 |
| ▸ | HPGD | P15428 | 9/20 | 0.63 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.63 |
| ▸ | GAA | P10253 | 6/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.49 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.49 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL6446329 | 0.91 | ALDH1A1 (0.52) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL6445232 | 0.85 | ACHE (0.56) | ALDH1A1KDM4EHPGDHSD17B10LMNA | |
| SCHEMBL7147054 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL7178584 | 0.85 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL6443228 | 0.81 | ALDH1A1 (0.57) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL6441991 | 0.81 | ADORA2A (0.57) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL7151238 | 0.80 | ADORA2A (0.53) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL6441656 | 0.80 | ADORA1 (0.49) | ALDH1A1KDM4EHPGDNPSR1GAA | |
| SCHEMBL6446015 | 0.79 | ADORA2A (0.61) | ALDH1A1KDM4EHPGDGAAHSD17B10 | |
| SCHEMBL5036673 | 0.79 | ADORA2A (0.61) | ALDH1A1KDM4EHPGDNPSR1GAA |
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 | ALDH1A1 534/4885KDM4E 3250/4885HPGD 915/4885 |
“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.