Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 7/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | USP2 | O75604 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL2755071 | 0.87 | TSHR (0.40) | TSHRCYP1A2 | |
| SCHEMBL12026388 | 0.78 | SOS1 (0.31) | — | |
| SCHEMBL2755092 | 0.77 | — | — | |
| SCHEMBL10287479 | 0.76 | CYP3A4 (0.36) | CYP2D6CYP3A4ALDH1A1USP2TSHR | |
| SCHEMBL22279859 | 0.76 | CYP3A4 (0.36) | CYP2D6CYP3A4ALDH1A1USP2TSHR | |
| SCHEMBL165883 | 0.74 | CYP2D6 (0.42) | CYP2D6CYP3A4ALDH1A1USP2TSHR | |
| SCHEMBL24536722 | 0.72 | ALDH1A1 (0.34) | CYP2D6CYP3A4ALDH1A1USP2TSHR | |
| SCHEMBL19286934 | 0.72 | — | — | |
| SCHEMBL12733692 | 0.72 | CYP3A4 (0.31) | CYP2D6CYP3A4ALDH1A1USP2TSHR | |
| SCHEMBL1793924 | 0.71 | CYP2D6 (0.41) | CYP2D6CYP3A4ALDH1A1USP2TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8536193-B2 | Inhibitors of AKT activity | MERCK SHARP & DOHME CORP. (US) | 2013-09-17 | — | — | US | disclosed |
| US-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2012-01-05 | — | — | US | disclosed |
| US-20110082135-A1 | INHIBITORS OF AKT ACTIVITY | MERCK SHARP & DOHME LLC | 2011-04-07 | — | — | 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 (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-20120004240-A1 | INHIBITORS OF AKT ACTIVITY | PIK3CD, PIK3CA, PIK3R5 | CYP2D6 3774/4885CYP3A4 3509/4885ALDH1A1 3980/4885 |
| US-20110082135-A1 | INHIBITORS OF AKT ACTIVITY | PIK3CA, AKT1S1, AKT1 | CYP2D6 3866/4885CYP3A4 3065/4885ALDH1A1 3429/4885 |
“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.