Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4023450 | 0.87 | NPSR1 (0.34) | — | |
| SCHEMBL21798365 | 0.79 | — | — | |
| SCHEMBL2835268 | 0.79 | ASGR1 (0.31) | CA2ASGR1 | |
| SCHEMBL18134202 | 0.78 | — | — | |
| SCHEMBL2835267 | 0.74 | — | — | |
| SCHEMBL16028550 | 0.74 | KDM4E (0.36) | — | |
| SCHEMBL16089712 | 0.71 | EPHX1 (0.39) | EPHX1 | |
| Ethylene Glycol SCHEMBL2167120 | 0.68 | CA2 (0.44) | CA2 | |
| Ethylene Glycol SCHEMBL2178632 | 0.68 | CA2 (0.44) | CA2 | |
| Alcohol SCHEMBL20295436 | 0.68 | TSHR (0.50) | CA2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0600833-A1 | Herbicidal thiediazabicyclo-octanes | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |