Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.34 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.34 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL6384308 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2D6CYP2C9CYP2C19 | |
| SCHEMBL154665 | 0.71 | — | — | |
| SCHEMBL2099465 | 0.71 | DAO (0.41) | ALDH1A1CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL921314 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4025653 | 0.69 | — | — | |
| SCHEMBL6310828 | 0.67 | NPC1 (0.47) | ALDH1A1TSHRLMNAMEN1KMT2A | |
| SCHEMBL919740 | 0.67 | — | — | |
| SCHEMBL921654 | 0.66 | — | — | |
| SCHEMBL2911477 | 0.66 | NPSR1 (0.47) | ALDH1A1TSHRCYP2D6LMNAMEN1 | |
| Nitrous Acid SCHEMBL5674281 | 0.66 | CES2 (0.39) | ALDH1A1TSHRLMNAMEN1KMT2A |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0906108-B1 | ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE | BANYU PHARMA CO LTD (JP) | 2005-06-15 | — | — | EP | disclosed |
| EP-1049691-B1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMA CO LTD (JP) | 2004-02-18 | — | — | EP | disclosed |
| US-6413979-B1 | ANTAGONISTS TO ENDOTHELINS; VASODILATORS AND BRONCHODILATORS; SYNTHESIS ROUTES; HYPERTENSION, ASTHMA, RAYNAUD'S DISEASE, RENAL AND HEART FAILURE, ANGINA, DIABETES, CEREBRAL INFARC-TION AND VASOSPASM, ARTERIOSCLEROSIS, RESTENOSIS, PROSTATISM | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2002-07-02 | — | — | US | 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 |
| EP-1049691-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-11-08 | — | — | EP | disclosed |
| US-6087360-A | TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2000-07-11 | — | — | US | disclosed |
| WO-1999037639-A1 | SUBSTITUTED 5-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL) CYCLOPENTENOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 1999-07-29 | — | — | WO | 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 |
| 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 |