Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Dioxane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TTR | P02766 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| Dioxane SCHEMBL27682088 | 1.00 | TTR (0.43) | TTRCA2SMN1; SMN2CA12CA7 | |
| Oxirane SCHEMBL28947329 | 0.93 | — | — | |
| Tetrahydrofuran SCHEMBL28376482 | 0.87 | ALDH1A1 (0.50) | CA2SMN1; SMN2CA12CA7CA14 | |
| Tetrahydrofuran SCHEMBL11751287 | 0.87 | ALDH1A1 (0.50) | CA2SMN1; SMN2CA12CA7CA14 | |
| SCHEMBL3362460 | 0.87 | CA2 (0.35) | CA2 | |
| Dioxane SCHEMBL18190957 | 0.85 | CA5A (0.50) | TTRCA2SMN1; SMN2CA12CA7 | |
| Dioxane SCHEMBL1565192 | 0.85 | CA5A (0.50) | TTRCA2SMN1; SMN2CA12CA7 | |
| SCHEMBL4025713 | 0.84 | ALDH1A1 (0.47) | CA2SMN1; SMN2CA12CA7CA14 | |
| SCHEMBL28280266 | 0.84 | ALDH1A1 (0.47) | CA2SMN1; SMN2CA12CA7CA14 | |
| SCHEMBL28922478 | 0.84 | TTR (0.30) | TTRSMN1; SMN2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023143576-A1 | CRYSTALLINE FORM OR AMORPHOUS FORM OF MACROCYCLIC COMPOUND OR SALT OR SOLVATE THEREOF | 苏州亚盛药业有限公司 | 2023-08-03 | — | — | WO | claimed |
| WO-2023143576-A1 | CRYSTALLINE FORM OR AMORPHOUS FORM OF MACROCYCLIC COMPOUND OR SALT OR SOLVATE THEREOF | 苏州亚盛药业有限公司 | 2023-08-03 | — | — | WO | disclosed |
| CN-116514814-A | Crystalline or amorphous forms of macrocyclic compounds or salts, solvates thereof | 苏州亚盛药业有限公司 | 2023-08-01 | — | — | CN | disclosed |
| EP-1511490-A4 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | EP | disclosed |
| US-20070021418-A1 | Method of inhibiting production of osteopontin | KOWA CO., LTD. (JP) | 2007-01-25 | — | — | US | disclosed |
| EP-1650195-A1 | METHOD OF INHIBITING PRODUCTION OF OSTEOPONTIN | Kowa Co., Ltd. (JP) | 2006-04-26 | — | — | EP | disclosed |
| EP-1511490-A2 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | Transform Pharmaceuticals, Inc. (US) | 2005-03-09 | — | — | EP | disclosed |
| WO-2003101392-A2 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS, INC. (US) | 2003-12-11 | — | — | WO | 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-20070021418-A1 | Method of inhibiting production of osteopontin | HDGF, PGF, FGF23 | TTR 890/4885CA2 244/4885SMN1; SMN2 3853/4885 |
“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.