Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 18/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 15/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 6/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9895213 | 0.89 | NPC1 (0.38) | ALDH1A1 | |
| SCHEMBL9895488 | 0.86 | CYP2D6 (0.34) | CYP3A4CYP2D6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL9896200 | 0.83 | CYP2D6 (0.41) | CYP3A4CYP2D6TSHRCYP1A2CYP2C19 | |
| SCHEMBL9894716 | 0.82 | CYP2D6 (0.39) | CYP3A4CYP2D6CYP2C9TSHRCYP1A2 | |
| SCHEMBL9897638 | 0.80 | RORC (0.35) | CYP3A4CYP2D6ALDH1A1TSHRCYP1A2 | |
| SCHEMBL9896084 | 0.80 | AR (0.37) | ALDH1A1 | |
| SCHEMBL9896603 | 0.80 | GPR119 (0.34) | CYP3A4CYP2D6ALDH1A1 | |
| SCHEMBL9895567 | 0.79 | GRM2 (0.36) | ALDH1A1 | |
| SCHEMBL9895972 | 0.79 | GRM2 (0.38) | ALDH1A1 | |
| SCHEMBL9896556 | 0.78 | CYP2D6 (0.40) | CYP3A4CYP2D6ALDH1A1CYP2C9TSHR |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | claimed |
| EP-2470527-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | Merck Sharp & Dohme Corp. (US) | 2012-07-04 | — | — | EP | claimed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | claimed |
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | 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-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | CYP3A4 2317/4885CYP2D6 2110/4885ALDH1A1 3327/4885 |
“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.