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 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 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 | |
|---|---|---|---|---|
| SCHEMBL9208162 | 0.85 | CA2 (0.37) | CA2 | |
| SCHEMBL42252 | 0.82 | — | — | |
| SCHEMBL306878 | 0.82 | — | — | |
| SCHEMBL2095 | 0.82 | — | — | |
| SCHEMBL27942472 | 0.79 | CA1 (0.34) | FNTAFNTB | |
| Charcoal, Activated SCHEMBL30585078 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28123016 | 0.78 | — | — | |
| SCHEMBL27537252 | 0.78 | — | — | |
| SCHEMBL3901222 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27839659 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0337862-B1 | 1-HALO-(Z,E) 7,10-DODECADIENE AND A METHOD FOR THE PRODUCTION THEREOF | Shin-Etsu Chemical Co., Ltd. (JP) | 1992-07-08 | — | — | EP | disclosed |
| US-4918252-A | CHEMICAL INTERMEDIATE FOR SEX PHEROMONE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0337862-A1 | 1-halo-(Z,E) 7,10-dodecadiene and a method for the production thereof | Shin-Etsu Chemical Co., Ltd. (JP) | 1989-10-18 | — | — | EP | disclosed |