Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.43 |
| ▸ | PRKACA | P17612 | 1/20 | 0.43 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.43 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.43 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.43 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.43 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL7444 | 0.98 | — | — | |
| Cyanide SCHEMBL28133661 | 0.91 | CYP1A1 (0.41) | CYP1A1CYP1B1ROCK2MAP4K4PRKACA | |
| Formic Acid SCHEMBL28134510 | 0.86 | MKNK2 (0.41) | ROCK2MAP4K4PRKACAROCK1DYRK1A | |
| SCHEMBL4441012 | 0.86 | CYP3A4 (0.38) | CYP1A1CYP1B1ROCK2MAP4K4PRKACA | |
| SCHEMBL5848746 | 0.84 | CYP1A1 (0.47) | CYP1A1CYP1B1CHRNB2CHRNA4 | |
| SCHEMBL1557265 | 0.82 | LTA4H (0.45) | CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2 | |
| SCHEMBL3957255 | 0.80 | CHRNB2 (0.43) | CHRNB2CHRNA4 | |
| SCHEMBL744752 | 0.80 | CYP1A1 (0.61) | CYP1A1CYP1B1ROCK2MAP4K4PRKACA | |
| SCHEMBL7453614 | 0.78 | POLB (0.41) | CHRNB2CHRNA4 | |
| SCHEMBL2953529 | 0.78 | SMN1; SMN2 (0.49) | CHRNB2CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| US-9029557-B2 | Labeled A4B2 ligands and methods therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2015-05-12 | — | — | US | disclosed |
| US-20140050663-A1 | Labeled A4B2 Ligands and Methods Therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2014-02-20 | — | — | US | disclosed |
| US-8378109-B2 | Labeled ALPHA4BETA2 ligands and methods therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2013-02-19 | — | — | US | disclosed |
| US-20090297443-A1 | Labeled ALPHA4BETA2 Ligands and Methods Therefor | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-12-03 | — | — | US | disclosed |
| WO-2006086068-A1 | LABELED ALPHA-4-BETA-2 LIGANDS AND METHODS THEREFOR | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2006-08-17 | — | — | 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 (2 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-20140050663-A1 | Labeled A4B2 Ligands and Methods Therefor | CHRNB1, CHRNB4, CHRNB2 | CYP1A1 1573/4885CYP1B1 1004/4885ROCK2 3189/4885 |
| US-20090297443-A1 | Labeled ALPHA4BETA2 Ligands and Methods Therefor | CHRNE, CHRNB1, CHRNB4 | CYP1A1 1623/4885CYP1B1 973/4885ROCK2 2365/4885 |
“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.