Known targets — ChEMBL curated mechanism
rplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Bumetrizole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.36 |
| ▸ | GSK3B | P49841 | 8/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | RBP4 | P02753 | 1/20 | 0.35 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Bumetrizole SCHEMBL8362420 | 0.96 | NPC1 (0.43) | NPC1RAB9APOLBRBP4VCAM1 | |
| Bumetrizole SCHEMBL11754863 | 0.94 | FFAR4 (0.40) | NPC1RAB9ARBP4 | |
| Bumetrizole SCHEMBL8433097 | 0.91 | NPC1 (0.45) | NPC1RAB9APOLBRBP4VCAM1 | |
| Bumetrizole SCHEMBL8954398 | 0.91 | NPC1 (0.39) | NPC1RAB9AGSK3BPOLB | |
| Stearic Acid SCHEMBL28515677 | 0.90 | NR5A2 (0.36) | OXER1GSK3BRBP4VCAM1 | |
| Bumetrizole SCHEMBL3834201 | 0.89 | NPC1 (0.45) | NPC1RAB9APOLBRBP4 | |
| Bumetrizole SCHEMBL8379731 | 0.87 | NPC1 (0.42) | NPC1RAB9APOLB | |
| Bumetrizole SCHEMBL9419639 | 0.87 | NPC1 (0.49) | NPC1RAB9APOLB | |
| Bumetrizole SCHEMBL9577821 | 0.86 | NPC1 (0.48) | NPC1RAB9APOLB | |
| Bumetrizole SCHEMBL11049044 | 0.85 | NPC1 (0.45) | NPC1RAB9APOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6017986-A | A RADIATION-RESIST STABILIZER ALIPHATIC, UNSATURATED COMPOUND HAVING AT LEAST ONE UNSATURATION SITE, INCLUDE SOYBEAN OIL, SAFFLOWER OIL, SQUALENE, POLYBUTADIENE; FOR MANUFACTURING OF FIBERS, FILMS, MEDICAL DEVICES SUCH AS SYRINGES, TUBES | MONTELL NORTH AMERICA INC. (US) | 2000-01-25 | — | — | US | disclosed |