Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | GRM1 | Q13255 | 4/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TDO2 | P48775 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL316519 | 0.80 | RAB9A (0.41) | HTTALDH1A1MAPT | |
| SCHEMBL16927609 | 0.76 | CYP11B2 (0.41) | CYP2A6CYP2E1CYP3A4HTTCYP11B2 | |
| SCHEMBL1305113 | 0.76 | CYP11B2 (0.41) | CYP2A6CYP2E1CYP3A4HTTCYP11B2 | |
| SCHEMBL1908255 | 0.74 | NPC1 (0.49) | CYP3A4HTTIDO1TDO2ALDH1A1 | |
| SCHEMBL2691172 | 0.73 | CYP2A6 (0.49) | CYP2A6CYP2E1CYP3A4ELANEHTT | |
| SCHEMBL4909016 | 0.72 | RAB9A (0.43) | CYP3A4ELANEHTTALDH1A1MAPT | |
| SCHEMBL1902318 | 0.71 | NPC1 (0.46) | HTTGRM1IDO1TDO2ALDH1A1 | |
| SCHEMBL28335461 | 0.70 | CYP2A6 (0.54) | CYP2A6CYP2E1CYP3A4ELANEHTT | |
| SCHEMBL1906114 | 0.70 | CYP1A2 (0.47) | HTTALDH1A1MAPTHSD17B10 | |
| SCHEMBL14955293 | 0.69 | CA12 (0.51) | CYP2A6CYP2E1CYP3A4ELANEHTT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8455477-B2 | Therapeutic compounds | MERCK SHARP & DOHME CORP. (US) | 2013-06-04 | — | — | US | disclosed |
| US-20110207711-A1 | Therapeutic Compounds | MSD K.K. (JP) | 2011-08-25 | — | — | US | disclosed |
| EP-2320907-A1 | THERAPEUTIC COMPOUNDS | Merck & Co., Inc. (US) | 2011-05-18 | — | — | EP | disclosed |
| WO-2010017047-A1 | THERAPEUTIC COMPOUNDS | MERCK & CO., INC. (US) | 2010-02-11 | — | — | 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-20110207711-A1 | Therapeutic Compounds | WEE2, MARK3, WEE1 | CYP2A6 3267/4885CYP2E1 4681/4885CYP3A4 4485/4885 |
“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.