Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.38 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7841575 | 0.88 | HTT (0.40) | HTTLMNAMAPK1RAB9ATAS1R3 | |
| SCHEMBL7841971 | 0.82 | TAS1R3 (0.41) | LMNARAB9ATAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL7839101 | 0.79 | PDE4D (0.42) | HTTLMNAMAPK1RAB9AALDH1A1 | |
| SCHEMBL7840763 | 0.76 | TAS1R3 (0.41) | LMNARAB9ATAS1R3TAS1R1ALDH1A1 | |
| SCHEMBL7842205 | 0.73 | KDM4E (0.43) | HTTLMNARAB9AALDH1A1MAPT | |
| SCHEMBL7842210 | 0.73 | KDM4E (0.46) | RAB9AALDH1A1MEN1KMT2AKDM4E | |
| SCHEMBL7842966 | 0.72 | MAPT (0.47) | HTTLMNARAB9AALDH1A1MAPT | |
| SCHEMBL7838632 | 0.71 | L3MBTL1 (0.49) | HTTLMNARAB9AALDH1A1MAPT | |
| SCHEMBL7838638 | 0.70 | NPC1 (0.47) | HTTMAPK1RAB9AALDH1A1MAPT | |
| SCHEMBL7840463 | 0.69 | KDM4E (0.44) | HTTLMNARAB9AALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6197800-B1 | HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS | MERCK PATENT GESELLSCHAFT MI BESCHRAENKTER HAFTUNG (DE) | 2001-03-06 | — | — | US | disclosed |
| EP-1000044-A1 | BENZOTHIA(OXA)DIAZOL DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GmbH (DE) | 2000-05-17 | — | — | EP | disclosed |
| WO-1999005132-A1 | BENZOTHIA(OXA)DIAZOL DERIVATIVES AND THEIR USE AS ENDOTHELIN-RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 1999-02-04 | — | — | WO | disclosed |