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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 11/20 | 0.60 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.60 |
| ▸ | MMP2 | P08253 | 5/20 | 0.36 |
| ▸ | MMP9 | P14780 | 5/20 | 0.36 |
| ▸ | MMP14 | P50281 | 2/20 | 0.36 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | PPARA | Q07869 | 1/20 | 0.33 |
| ▸ | MMP8 | P22894 | 3/20 | 0.31 |
| ▸ | MMP13 | P45452 | 3/20 | 0.31 |
| ▸ | MMP3 | P08254 | 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 | |
|---|---|---|---|---|
| SCHEMBL5042908 | 1.00 | ERBB2 (0.60) | ERBB2MINK1MMP2MMP9MMP14 | |
| SCHEMBL5043378 | 0.94 | ERBB2 (0.67) | ERBB2MINK1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5043377 | 0.94 | ERBB2 (0.67) | ERBB2MINK1CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL5049284 | 0.93 | ERBB2 (0.66) | ERBB2MINK1CYP19A1CYP11B1CYP11B2 | |
| Hydrochloric Acid SCHEMBL5049282 | 0.93 | ERBB2 (0.66) | ERBB2MINK1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL5046860 | 0.92 | ERBB2 (0.55) | ERBB2MINK1MMP2MMP9MMP14 | |
| SCHEMBL5046863 | 0.92 | ERBB2 (0.55) | ERBB2MINK1MMP2MMP9MMP14 | |
| SCHEMBL6022033 | 0.91 | ERBB2 (0.54) | ERBB2MINK1MMP2MMP9MMP14 | |
| SCHEMBL5523702 | 0.90 | ERBB2 (0.75) | ERBB2MINK1MMP2MMP9MMP14 | |
| SCHEMBL5523704 | 0.90 | ERBB2 (0.75) | ERBB2MINK1MMP2MMP9MMP14 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7432291-B2 | Ether derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-10-07 | — | — | US | claimed |
| EP-1727815-B1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | HOFFMANN LA ROCHE (CH) | 2007-06-27 | — | — | EP | claimed |
| EP-1727815-A1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-12-06 | — | — | EP | claimed |
| WO-2005090338-A1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-29 | — | — | WO | claimed |
| US-20050209290-A1 | Novel ether derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2005-09-22 | — | — | US | claimed |
| US-7432291-B2 | Ether derivatives | HOFFMAN-LA ROCHE INC. (US) | 2008-10-07 | — | — | US | disclosed |
| EP-1727815-B1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | HOFFMANN LA ROCHE (CH) | 2007-06-27 | — | — | EP | disclosed |
| EP-1727815-A1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-12-06 | — | — | EP | disclosed |
| WO-2005090338-A1 | ETHER DERIVATIVES, THEIR MANUFACTURE AND USE AS PHARMACEUTICAL AGENTS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-09-29 | — | — | WO | disclosed |
| US-20050209290-A1 | Novel ether derivatives | F. HOFFMAN-LA ROCHE AG (CH) | 2005-09-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050209290-A1 | Novel ether derivatives | CYP2E1, CYP11B1, CYP11B2 | ERBB2 823/4885MINK1 2620/4885MMP2 4475/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.