Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | CTSC | P53634 | 1/20 | 0.31 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.30 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7812038 | 0.91 | CTSC (0.36) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6979893 | 0.83 | GRIK1 (0.33) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6987634 | 0.82 | ADAM17 (0.36) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6981566 | 0.81 | ADAM17 (0.36) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6983429 | 0.79 | ADAM17 (0.36) | ADAM17GRIK1GRIK2 | |
| SCHEMBL6944604 | 0.77 | ADAM17 (0.36) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6987789 | 0.77 | CTSC (0.31) | CTSC | |
| SCHEMBL6986618 | 0.75 | ADAM17 (0.37) | ADAM17CTSC | |
| SCHEMBL6987488 | 0.75 | ADAM17 (0.31) | ADAM17CTSCGRIK1GRIK2 | |
| SCHEMBL6986164 | 0.75 | ADAM17 (0.31) | ADAM17CTSCGRIK1GRIK2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1089964-B1 | HYDRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2003-10-29 | — | — | EP | disclosed |
| US-6239151-B1 | TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, | HOFFMANN-LA ROCHE INC. | 2001-05-29 | — | — | US | disclosed |