Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | BCR | P11274 | 1/20 | 0.51 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28447440 | 0.86 | ABL1 (0.55) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL27550657 | 0.84 | PTGS2 (0.55) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL4662973 | 0.83 | SCN9A (0.58) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL31331765 | 0.83 | SCN9A (0.58) | ABL1ABCB1BCRHDAC4HDAC2 | |
| SCHEMBL8819737 | 0.83 | SMN1; SMN2 (0.46) | ABL1ABCB1BCRSMN1; SMN2PTGS2 | |
| SCHEMBL5682823 | 0.80 | CA12 (0.42) | MAPTRAB9ANPC1TP53TSHR | |
| SCHEMBL6291041 | 0.80 | PTPN1 (0.50) | PTPN1MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL313390 | 0.79 | ALDH1A1 (0.46) | HDAC4HDAC2HDAC8PTGS2ALDH1A1 | |
| SCHEMBL14572634 | 0.79 | SCN9A (0.47) | PTGS2PTGS1SCN9A | |
| SCHEMBL4202592 | 0.78 | PTGS2 (0.55) | MAPTRAB9APTGS2HSP90AA1HSP90AB1 |
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 |