Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28685543 | 0.94 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28688774 | 0.94 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28702918 | 0.94 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28679499 | 0.94 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL28688772 | 0.94 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3174463 | 0.91 | ALDH1A1 (0.43) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL1992837 | 0.85 | ALDH1A1 (0.45) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA2A | |
| SCHEMBL7951572 | 0.83 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2NFKB1NFKB2 | |
| SCHEMBL3465048 | 0.82 | ALDH1A1 (0.49) | ALDH1A1ADORA2AMAPTKDM4ELMNA | |
| SCHEMBL1990691 | 0.80 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2ALDH1A1ADORA2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6174906-B1 | TREATMENT OF DISEASES CAUSED BY AN EXCESS OF ENDOTHELIN COMPRISING ADMINISTERING ENDOTHELIN RECEPTOR ANTAGONIST COMPOUND; FOR TREATING UNSTABLE ANGINA, CORONARY VASOSPASM AND MYOCARDIAL SALVAGE, RESTENOSIS, PULMONARY HYPERTENSION | SMITHKLINE BEECHAM CORPORATION | 2001-01-16 | — | — | US | disclosed |
| US-6030970-A | TREATING RENAL FAILURE OR CEREBROVASCULAR DISEASE, RADIO-CONTRAST INDUCED RENAL FAILURE, CONGESTIVE HEART FAILURE, UNSTABLE ANGINA, CORONARY VASOPASM, MYOCARDIAL SALVAGE, RESTENOSIS, PULMONARY HYPERTENSION, STROKES | SMITHKLINE BEECHAM CORPORATION (US) | 2000-02-29 | — | — | US | disclosed |
| EP-0841926-A4 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORP (US) | 1999-08-04 | — | — | EP | disclosed |
| EP-0841926-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997004774-A1 | ENDOTHELIN RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1997-02-13 | — | — | WO | disclosed |