Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 10/20 | 0.51 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.43 |
| ▸ | MEN1 | O00255 | 10/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 10/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.41 |
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6443206 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6444835 | 0.88 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6440563 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6441094 | 0.86 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6441745 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6442282 | 0.85 | MAPT (0.57) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6448383 | 0.84 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6441977 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL6442836 | 0.83 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT | |
| SCHEMBL27591989 | 0.82 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19CYP3A4MAPT |
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 339/4885CYP2C9 992/4885CYP2C19 481/4885 |
“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.