Known targets — ChEMBL curated mechanism
AGTR1DHFRGABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTNR3C2PBP2XPTGS1PTGS2VKORC1blablaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAftsImrcAmrcBmrdApbp1apbp1bpbp2apbp2bpbp3polthyA
The experimentally established mechanism targets of Icosahydrodibenzo[B,K][1,4,7,10,13,16]Hexaoxacyclooctadecine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.33 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| Icosahydrodibenzo[B,K][1,4,7,10,13,16]Hexaoxacyclooctadecine SCHEMBL35551 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL14488843 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL5067399 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL14156075 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL5027573 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| Icosahydrodibenzo[B,K][1,4,7,10,13,16]Hexaoxacyclooctadecine SCHEMBL23646852 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL12533535 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL19766264 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL14488913 | 0.94 | TTR (0.38) | TTRPDK1CHRM2CHRM4CHRM5 | |
| SCHEMBL10919024 | 0.86 | ALDH1A1 (0.42) | TTRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5070209-A | REDUCTION OF INTRAOCULAR PRESSURE | HOECHST ROUSSEL PHARMACEUTICALS INC. (US) | 1991-12-03 | — | — | US | disclosed |
| US-5023344-A | Reducing intraocular pressure | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1991-06-11 | — | — | US | disclosed |
| US-4978678-A | ANTIGLAUCOMA AGENTS | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1990-12-18 | — | — | US | disclosed |
| US-4871764-A | INTRAOCULAR PRESSURE REDUCTION | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-10-03 | — | — | US | disclosed |
| EP-0268256-A2 | 12-Halogenated forskolin derivatives, intermediates and a process for the preparation thereof and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1988-05-25 | — | — | EP | disclosed |