Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.51 |
| ▸ | TYMS | P04818 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8395502 | 0.89 | NPC1 (0.56) | NPC1RAB9ACASP3PLAUTYMS | |
| SCHEMBL29892518 | 0.89 | NPC1 (0.56) | NPC1RAB9ACASP3PLAUTYMS | |
| SCHEMBL29892522 | 0.89 | NPC1 (0.56) | NPC1RAB9ACASP3PLAUTYMS | |
| SCHEMBL8060495 | 0.86 | NPC1 (0.53) | NPC1RAB9ACASP3PLAUTYMS | |
| SCHEMBL29469890 | 0.80 | ALDH1A1 (0.44) | NPC1RAB9APLAUCA12CA1 | |
| SCHEMBL9093600 | 0.79 | PLAU (0.55) | NPC1RAB9ACASP3PLAUPTPN1 | |
| SCHEMBL3786444 | 0.77 | NPC1 (0.68) | NPC1RAB9ACASP3PLAUPTPN1 | |
| SCHEMBL9125523 | 0.76 | NPC1 (0.58) | NPC1RAB9ACASP3PLAUMGLL | |
| SCHEMBL1339455 | 0.76 | NPC1 (0.60) | NPC1RAB9APOLBHPGD | |
| SCHEMBL27786325 | 0.75 | NPC1 (0.57) | NPC1RAB9ACASP3PLAUPTPN1 |
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-6083951-A | FOR THE TREATMENT OF DISEASES OR MEDICAL CONDITIONS SUCH AS HYPERTENSION, PULMONARY HYPERTENSION, CARDIAC OR CEREBRAL CIRCULATORY DISEASE AND RENAL DISEASE | ZENECA LIMITED (GB) | 2000-07-04 | — | — | US | disclosed |
| EP-0752986-B1 | N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LTD (GB) | 1999-05-19 | — | — | EP | disclosed |
| US-5861401-A | TREATMENT OF CONGESTIVE HEART FAILURE | ZENECA LIMITED (GB) | 1999-01-19 | — | — | US | disclosed |
| EP-0752986-A1 | N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1997-01-15 | — | — | EP | disclosed |
| WO-1995026957-A1 | N-HETEROCYCLYL SULPHONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS | ZENECA LIMITED (GB) | 1995-10-12 | — | — | WO | disclosed |