Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 5/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 3/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | HTR6 | P50406 | 3/20 | 0.34 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR7 | P34969 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16731021 | 0.91 | PRCP (0.41) | CYP11B1CYP11B2HSP90AA1HSP90AB1 | |
| SCHEMBL16730831 | 0.90 | CYP11B1 (0.39) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL20170504 | 0.81 | PRCP (0.41) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL16730943 | 0.79 | CYP11B1 (0.47) | CYP11B1CYP11B2IDO1P2RX7HTR1A | |
| SCHEMBL16730894 | 0.75 | KCNH2 (0.37) | CYP11B1CYP11B2HSP90AA1HSP90AB1KCNH2 | |
| SCHEMBL16730858 | 0.75 | CYP11B1 (0.51) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL16730822 | 0.74 | ABHD6 (0.39) | CYP11B1CYP11B2IDO1TMEM97 | |
| SCHEMBL16730963 | 0.74 | ASIC3 (0.44) | CYP11B1CYP11B2 | |
| SCHEMBL16730945 | 0.74 | CYP11B1 (0.48) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 | |
| SCHEMBL16730954 | 0.74 | TNF (0.47) | CYP11B1CYP11B2HSP90AA1HSP90AB1IDO1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3068391-B1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME (US) | 2018-05-23 | — | — | EP | disclosed |
| US-9975888-B2 | Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |
| US-9975888-B2 | Aryl linked imidazole and triazole derivatives and methods of use thereof for improving the pharmacokinetics of a drug | MERCK SHARP & DOHME CORP. (US) | 2018-05-22 | — | — | US | disclosed |
| US-20160297809-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2016-10-13 | — | — | US | disclosed |
| US-20160297809-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2016-10-13 | — | — | US | disclosed |
| WO-2015073308-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | WO | disclosed |
| WO-2015070366-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | MERCK SHARP & DOHME CORP. (US) | 2015-05-21 | — | — | 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-20160297809-A1 | ARYL LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG | CYP3A43, CYP3A5, CYP3A4 | CYP11B1 34/4885CYP11B2 30/4885HSP90AA1 2952/4885 |
“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.