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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28280266 | 1.00 | ALDH1A1 (0.47) | ALDH1A1TSHRCA2SMN1; SMN2L3MBTL1 | |
| Tetrahydrofuran SCHEMBL11751287 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRCA2SMN1; SMN2L3MBTL1 | |
| Tetrahydrofuran SCHEMBL28376482 | 0.97 | ALDH1A1 (0.50) | ALDH1A1TSHRCA2SMN1; SMN2L3MBTL1 | |
| Sulfuric Acid SCHEMBL10383408 | 0.88 | ALDH1A1 (0.53) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CA12 | |
| Sulfuric Acid SCHEMBL11299973 | 0.85 | ALDH1A1 (0.50) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CA12 | |
| Tetrahydrofuran SCHEMBL11757674 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CA12 | |
| Dioxane SCHEMBL4025718 | 0.84 | TTR (0.43) | TSHRCA2SMN1; SMN2L3MBTL1CA12 | |
| Dioxane SCHEMBL27682088 | 0.84 | TTR (0.43) | TSHRCA2SMN1; SMN2L3MBTL1CA12 | |
| Tetrahydrofuran SCHEMBL11859013 | 0.84 | ALDH1A1 (0.57) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CA12 | |
| SCHEMBL5697396 | 0.82 | ALDH1A1 (0.47) | ALDH1A1TSHRSMN1; SMN2L3MBTL1CA12 |
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-1511490-A4 | NOVEL CONAZOLE CRYSTALLINE FORMS AND RELATED PROCESSES, PHARMACEUTICAL COMPOSITIONS AND METHODS | TRANSFORM PHARMACEUTICALS INC (US) | 2009-03-11 | — | — | 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 |