Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.60 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.53 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SCN1A | P35498 | 1/20 | 0.44 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.44 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18232765 | 1.00 | TSHR (0.60) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL28806978 | 1.00 | TSHR (0.60) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL2181682 | 0.90 | TSHR (0.53) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL2221139 | 0.90 | TSHR (0.53) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL17803384 | 0.85 | PDCD1 (0.47) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL4445776 | 0.85 | TSHR (0.55) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL2982474 | 0.85 | TSHR (0.55) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL2980320 | 0.85 | TSHR (0.55) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL6501999 | 0.83 | TSHR (0.53) | TSHRTP53PDCD1CD274LMNA | |
| SCHEMBL9330992 | 0.83 | TSHR (0.53) | TSHRTP53PDCD1CD274LMNA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10183954-B2 | Oxathiolane carboxylic acids and derivatives for the treatment and prophylaxis of virus infection | HOFFMANN-LA ROCHE INC. (US) | 2019-01-22 | — | — | US | disclosed |
| US-20180065991-A1 | NOVEL OXATHIOLANE CARBOXYLIC ACIDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | HOFFMANN-LA ROCHE INC. (US) | 2018-03-08 | — | — | US | disclosed |
| WO-2011084849-A1 | DIARYLDIAZEPINE PRODRUGS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHOLOGICAL DISORDERS | ALKERMES, INC. (US) | 2011-07-14 | — | — | WO | disclosed |
| EP-2013214-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007131020-A2 | CONSTRAINED COMPOUNDS AS CGRP-RECEPTOR ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2007-11-15 | — | — | WO | disclosed |
| EP-0906108-B1 | ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE | BANYU PHARMA CO LTD (JP) | 2005-06-15 | — | — | EP | disclosed |
| US-6380195-B1 | INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-04-30 | — | — | US | disclosed |
| EP-0714897-B1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMA CO LTD (JP) | 2001-02-14 | — | — | EP | disclosed |
| EP-0906108-A4 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMA CO LTD (JP) | 2000-12-06 | — | — | EP | disclosed |
| US-6087360-A | TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |
| EP-0906108-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-04-07 | — | — | EP | disclosed |
| US-5834483-A | Method of treating heart failure with endothelin antagonists | MERCK & CO., INC. (US) | 1998-11-10 | — | — | US | disclosed |
| CN-1040434-C | Heterobicyclic compounds | RECORDATI CHEM PHARM (CH) | 1998-10-28 | — | — | CN | disclosed |
| US-5714479-A | TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1998-02-03 | — | — | US | disclosed |
| WO-1997037665-A1 | METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1997-10-16 | — | — | WO | disclosed |
| EP-0714897-A1 | FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1996-06-05 | — | — | EP | disclosed |
| EP-0672059-A1 | CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994011398-A1 | CYCLIC COMPOUNDS LINKED BY A HETEROCYCLIC RING USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-05-26 | — | — | 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 (2 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-20180065991-A1 | NOVEL OXATHIOLANE CARBOXYLIC ACIDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION | CXCR1, CCR1, SLC7A1 | TSHR 1789/4885TP53 993/4885PDCD1 1488/4885 |
| US-10183954-B2 | Oxathiolane carboxylic acids and derivatives for the treatment and prophylaxis of virus infection | CXCR1, CCR1, HAVCR2 | TSHR 1419/4885TP53 654/4885PDCD1 841/4885 |
“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.