Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | JAK2 | O60674 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 3/20 | 0.36 |
| ▸ | CASP7 | P55210 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 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 | |
|---|---|---|---|---|
| SCHEMBL16731033 | 0.87 | ALDH1A1 (0.42) | ALDH1A1HTTTRPA1NPSR1L3MBTL1 | |
| SCHEMBL16731030 | 0.83 | TRPA1 (0.38) | ALDH1A1TRPA1MAPTMCOLN3CASP3 | |
| SCHEMBL18128802 | 0.83 | TRPA1 (0.38) | ALDH1A1TRPA1MAPTMCOLN3CASP3 | |
| SCHEMBL18128796 | 0.82 | CYP11B2 (0.41) | TRPA1CYP11B2CYP3A4CYP2D6IDO1 | |
| SCHEMBL16719057 | 0.82 | CYP11B2 (0.41) | TRPA1CYP11B2CYP3A4CYP2D6IDO1 | |
| SCHEMBL16731960 | 0.81 | LMNA (0.41) | ALDH1A1TRPA1MAPTPKMCASP3 | |
| SCHEMBL18128806 | 0.81 | LMNA (0.36) | TRPA1GAAMAPTCASP3CASP7 | |
| SCHEMBL16719035 | 0.81 | ALDH1A1 (0.39) | ALDH1A1TRPA1GAAPKMCASP3 | |
| SCHEMBL16731956 | 0.81 | LMNA (0.36) | TRPA1GAAMAPTCASP3CASP7 | |
| SCHEMBL20170487 | 0.81 | CYP11B2 (0.35) | CYP11B2CYP3A4CYP2D6IDO1CYP2B6 |
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 12 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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 | claimed |
| 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-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 |
| 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 |
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 | ALDH1A1 189/4885HTT 1082/4885TRPA1 2594/4885 |
“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.