Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.65 |
| ▸ | HRH3 | Q9Y5N1 | 9/20 | 0.61 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | CHKA | P35790 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CDK1 | P06493 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL24023625 | 0.85 | CYP2D6 (0.89) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL1997330 | 0.85 | CYP2D6 (0.89) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL24023622 | 0.85 | CYP2D6 (0.89) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL1690956 | 0.83 | CYP2D6 (0.85) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL13869100 | 0.82 | HRH3 (0.65) | HRH3ALDH1A1TSHR | |
| SCHEMBL17119915 | 0.78 | TRPV1 (0.52) | CYP2D6CYP2C19ALDH1A1KDM4EHPGD | |
| SCHEMBL28175120 | 0.78 | HRH3 (0.61) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL688047 | 0.77 | SIGMAR1 (0.77) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL11141692 | 0.77 | SIGMAR1 (0.77) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 | |
| SCHEMBL11585348 | 0.77 | SIGMAR1 (0.77) | CYP2D6CYP2C19HRH3HRH4ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7524850-B2 | 1-{1-[4-(6-hydroxy-5-isobutyl-3-phenylpyrazin-2-yl)benzyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one; serine/threonine protein kinase; antiproliferative | MERCK & CO., INC. (US) | 2009-04-28 | — | — | US | disclosed |
| US-20070142388-A1 | Inhibitors of Akt activity | MERCK SHARP & DOHME CORP. | 2007-06-21 | — | — | US | 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-20070142388-A1 | Inhibitors of Akt activity | AKT2, AKT1, AKT3 | CYP2D6 4467/4885CYP2C19 4747/4885HRH3 4096/4885 |
“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.