Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 14/20 | 0.64 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.35 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9895807 | 0.84 | GRM2 (0.60) | GRM2TDO2AKR1C3AKR1C2SLC34A1 | |
| SCHEMBL9926811 | 0.79 | GRM2 (0.61) | GRM2TDO2 | |
| SCHEMBL9604420 | 0.79 | GRM2 (0.57) | GRM2TDO2L3MBTL1 | |
| SCHEMBL9604229 | 0.79 | GRM2 (0.61) | GRM2TDO2 | |
| SCHEMBL13730358 | 0.78 | GRM2 (0.54) | GRM2TDO2AKR1C3AKR1C2L3MBTL1 | |
| SCHEMBL9605392 | 0.78 | GRM2 (0.54) | GRM2TDO2SLC34A1 | |
| SCHEMBL13823717 | 0.77 | GRM2 (0.52) | GRM2TDO2AKR1C3AKR1C2 | |
| SCHEMBL15611109 | 0.77 | GRM2 (0.52) | GRM2TDO2AKR1C3AKR1C2SLC34A1 | |
| SCHEMBL13733133 | 0.76 | GRM2 (0.54) | GRM2TDO2AKR1C3AKR1C2 | |
| SCHEMBL15610885 | 0.76 | GRM2 (0.54) | GRM2TDO2AKR1C3AKR1C2 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9139576-B2 | Aminomethyl biaryl benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-09-22 | — | — | US | disclosed |
| US-8975286-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2015-03-10 | — | — | US | disclosed |
| US-8785482-B2 | Cyclohexene benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-22 | — | — | US | disclosed |
| US-8785481-B2 | Ether benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-22 | — | — | US | disclosed |
| US-8772276-B2 | Alkyne benzotriazole derivatives | MERCK SHARP & DOHME CORP. (US) | 2014-07-08 | — | — | US | disclosed |
| US-20140088150-A1 | CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2014-03-27 | — | — | US | disclosed |
| US-20140088112-A1 | ALKYNE BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2014-03-27 | — | — | US | disclosed |
| US-20140088151-A1 | ALHYDROXYMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME CORP. | 2014-03-27 | — | — | US | disclosed |
| US-20140066443-A1 | AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2014-03-06 | — | — | US | disclosed |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-06-14 | — | — | US | disclosed |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | MERCK SHARP & DOHME LLC | 2012-05-31 | — | — | 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 (6 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-20140088150-A1 | CYCLOHEXENE BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | GRM2 1/4885TDO2 1280/4885AKR1C3 3181/4885 |
| US-20120149677-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | GRM2 1/4885TDO2 1671/4885AKR1C3 3917/4885 |
| US-20120135977-A1 | ETHER BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRIK2 | GRM2 1/4885TDO2 1671/4885AKR1C3 3917/4885 |
| US-20140066443-A1 | AMINOMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | GRM2, GRM3, GRIN2C | GRM2 1/4885TDO2 1154/4885AKR1C3 3224/4885 |
| US-20140088112-A1 | ALKYNE BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRM3 | GRM2 1/4885TDO2 1624/4885AKR1C3 2181/4885 |
| US-20140088151-A1 | ALHYDROXYMETHYL BIARYL BENZOTRIAZOLE DERIVATIVES | GRM2, GRIA2, GRM3 | GRM2 1/4885TDO2 1090/4885AKR1C3 2211/4885 |
“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.