Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.41 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.40 |
| ▸ | OXTR | P30559 | 1/20 | 0.40 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | MEP1B | Q16820 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL874845 | 0.83 | CES2 (0.47) | CES2CES1KEAP1ALDH1A1ALOX15 | |
| SCHEMBL14415777 | 0.83 | CES2 (0.50) | CES2CES1KEAP1ALDH1A1NPC1 | |
| SCHEMBL3932311 | 0.81 | CES2 (0.48) | CES2CES1KEAP1ALDH1A1NPC1 | |
| SCHEMBL145273 | 0.81 | KEAP1 (0.59) | CES2CES1KEAP1ALDH1A1CLCN2 | |
| SCHEMBL29780492 | 0.81 | KEAP1 (0.59) | CES2CES1KEAP1ALDH1A1CLCN2 | |
| SCHEMBL9834572 | 0.80 | CES2 (0.52) | CES2CES1KEAP1ALDH1A1ALOX15 | |
| Hydrochloric Acid SCHEMBL18861016 | 0.79 | KEAP1 (0.57) | CES2CES1KEAP1ALDH1A1CLCN2 | |
| SCHEMBL20560602 | 0.79 | CES2 (0.38) | CES2CES1KEAP1ALDH1A1NPC1 | |
| SCHEMBL2852106 | 0.79 | KEAP1 (0.47) | CES2CES1KEAP1NPC1RAB9A | |
| SCHEMBL343535 | 0.78 | CES2 (0.68) | CES2CES1KEAP1ALDH1A1ALOX15 |
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 268 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114853627-B | Substituted docosahexaenoic amide ethyl benzoate derivative and preparation method and application thereof | 自然资源部第三海洋研究所 | 2023-06-20 | — | — | CN | claimed |
| CN-114853627-A | Substituted docosahexaenoic acid diethyl ester derivative as well as preparation method and application thereof | 自然资源部第三海洋研究所 | 2022-08-05 | — | — | CN | claimed |
| US-20240174674-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | APPLIED PHARMACEUTICAL SCIENCE, INC. (CN) | 2024-05-30 | — | — | US | disclosed |
| CN-114907338-B | Nitrogen-containing polycyclic condensed ring compound, pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2024-02-06 | — | — | CN | disclosed |
| EP-4289428-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | Applied Pharmaceutical Science, Inc. (CN) | 2023-12-13 | — | — | EP | disclosed |
| CN-111132963-B | Compound, composition, cured product, and method for producing cured product | 株式会社艾迪科 | 2023-11-24 | — | — | CN | disclosed |
| CN-114853627-B | Substituted docosahexaenoic amide ethyl benzoate derivative and preparation method and application thereof | 自然资源部第三海洋研究所 | 2023-06-20 | — | — | CN | disclosed |
| CN-219010069-U | High fluorine-containing inorganic chemical wastewater treatment device | 上海同济建设科技股份有限公司 | 2023-05-12 | — | — | CN | disclosed |
| CN-114644635-B | Triazole tricyclic derivative and preparation method and application thereof | 上海济煜医药科技有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-114907338-A | Nitrogen-containing polycyclic fused ring compound, and pharmaceutical composition, preparation method and application thereof | 北京志健金瑞生物医药科技有限公司 | 2022-08-16 | — | — | CN | disclosed |
| WO-2022166642-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | 北京志健金瑞生物医药科技有限公司 | 2022-08-11 | — | — | WO | disclosed |
| WO-1996022293-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022282-A1 | TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| WO-1996022294-A1 | BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS | AMERICAN CYANAMID COMPANY (US) | 1996-07-25 | — | — | WO | disclosed |
| US-5536718-A | Tricyclic benzazepine vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1996-07-16 | — | — | US | disclosed |
| US-5532235-A | TO TREAT EXCESS RENAL REABSORPTION | AMERICAN CYANAMID COMPANY (US) | 1996-07-02 | — | — | US | disclosed |
| US-5516774-A | TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1996-05-14 | — | — | US | disclosed |
| US-5512563-A | TREATING DISEASES CAUSED BY EXCESS RENAL REABSORPTION OF WATER | AMERICAN CYANAMID COMPANY (US) | 1996-04-30 | — | — | US | disclosed |
| EP-0640592-A1 | N-acylated tricyclic azaheterorings useful as vasopressin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-03-01 | — | — | EP | disclosed |
| EP-0636625-A2 | Tricyclic diazepine vasopressin antagonists and oxytocin antagonists | AMERICAN CYANAMID COMPANY (US) | 1995-02-01 | — | — | EP | 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-20240174674-A1 | NITROGEN-CONTAINING POLYCYCLIC FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF | RET, WEE1, JAK2 | CES2 4761/4885CES1 4163/4885KEAP1 1214/4885 |
“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.