Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.57 |
| ▸ | TLR2 | O60603 | 1/20 | 0.57 |
| ▸ | NSD2 | O96028 | 1/20 | 0.57 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | MPI | P34949 | 1/20 | 0.57 |
| ▸ | GRK6 | P43250 | 1/20 | 0.57 |
| ▸ | RECQL | P46063 | 1/20 | 0.57 |
| ▸ | TLR1 | Q15399 | 1/20 | 0.57 |
| ▸ | TLR6 | Q9Y2C9 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | RAB9A | P51151 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL151035 | 0.89 | ALDH1A1 (0.60) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL2093655 | 0.84 | ALDH1A1 (0.58) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL6240522 | 0.84 | ALDH1A1 (0.59) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL449698 | 0.83 | HDAC4 (0.73) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL853606 | 0.83 | ALDH1A1 (0.57) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL13064782 | 0.83 | ALDH1A1 (0.60) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL852957 | 0.83 | ALDH1A1 (0.58) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL2181967 | 0.83 | ALDH1A1 (0.57) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| SCHEMBL18263632 | 0.81 | NPC1 (0.60) | HDAC4HDAC6ALDH1A1KDM4EMAPT | |
| Hydrochloric Acid SCHEMBL15823986 | 0.81 | ALDH1A1 (0.57) | HDAC4HDAC6ALDH1A1KDM4EMAPT |
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 | HDAC4 1236/4885HDAC6 1816/4885ALDH1A1 534/4885 |
“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.