Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B3 | P37058 | 8/20 | 0.52 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | BLM | P54132 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | ALPI | P09923 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | ALPG | P10696 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | CASP3 | P42574 | 1/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | CASP6 | P55212 | 1/20 | 0.48 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.48 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL379725 | 0.83 | KMT2A (0.54) | PTPN1NPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL8604333 | 0.83 | HSD17B3 (0.55) | HSD17B3PTPN1NPC1RAB9ABLM | |
| SCHEMBL180665 | 0.82 | GSK3B (0.53) | NPC1RAB9AALDH1A1POLBCA1 | |
| SCHEMBL6656619 | 0.82 | HSD17B3 (0.50) | HSD17B3PTPN1NPC1RAB9ABLM | |
| SCHEMBL10594877 | 0.82 | GSK3B (0.53) | NPC1RAB9AALDH1A1POLBL3MBTL1 | |
| SCHEMBL20159133 | 0.82 | LMNA (0.43) | NPC1RAB9ABLMKDM4EPOLB | |
| SCHEMBL1748034 | 0.78 | SMN1; SMN2 (0.44) | PTPN1RAB9AKDM4EALDH1A1TDP1 | |
| SCHEMBL7441224 | 0.77 | NPC1 (0.47) | HSD17B3PTPN1NPC1RAB9ABLM | |
| SCHEMBL1373141 | 0.77 | ESR1 (0.56) | HSD17B3PTPN1NPC1RAB9AALDH1A1 | |
| SCHEMBL4095875 | 0.75 | ALDH1A1 (0.54) | NPC1RAB9AALDH1A1GAAAPEX1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5135940-A | Antiallegens, antiinflammatory agents | MERCK FROSST CANADA, INC. (CA) | 1992-08-04 | — | — | US | disclosed |
| EP-0252639-A1 | Leukotriene antagonists | MERCK FROSST CANADA INC. (CA) | 1988-01-13 | — | — | EP | disclosed |
| EP-0104885-B1 | LEUKOTRIENE ANTAGONISTS, THEIR PRODUCTION, AND COMPOSITIONS CONTAINING THEM | MERCK FROSST CANADA INC. (CA) | 1986-06-04 | — | — | EP | disclosed |
| EP-0104885-A1 | Leukotriene antagonists, their production, and compositions containing them | MERCK FROSST CANADA INC. (CA) | 1984-04-04 | — | — | EP | disclosed |