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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A known ✓ | P28223 | 1/20 | 0.48 |
| ▸ | DRD2 known ✓ | P14416 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | FUCA1 | P04066 | 2/20 | 0.51 |
| ▸ | ACHE | P22303 | 2/20 | 0.51 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | SCN4A | P35499 | 2/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL736285 | 0.92 | ALDH1A1 (0.62) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL28461967 | 0.92 | ALDH1A1 (0.62) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL736287 | 0.92 | ALDH1A1 (0.62) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL1036718 | 0.92 | ALDH1A1 (0.62) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL736286 | 0.92 | ALDH1A1 (0.62) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| Hydrochloric Acid SCHEMBL28093868 | 0.90 | ALDH1A1 (0.60) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL5744577 | 0.89 | ACHE (0.51) | ALDH1A1FUCA1ACHESLC18A3RECQL | |
| SCHEMBL4062247 | 0.88 | SMN1; SMN2 (0.51) | ALDH1A1FUCA1ACHESLC18A3SMN1; SMN2 | |
| Alcohol SCHEMBL7113880 | 0.87 | ALDH1A1 (0.57) | ALDH1A1FUCA1ACHESLC18A3BCHE | |
| SCHEMBL5744592 | 0.87 | ALDH1A1 (0.66) | ALDH1A1ACHERECQLSMN1; SMN2BCHE |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105566321-B | Heteroaromatic compounds and their use in medicine | 广东东阳光药业有限公司 | 2020-04-21 | — | — | CN | disclosed |
| EP-1288198-B1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORP (JP) | 2006-12-20 | — | — | EP | disclosed |
| US-6992205-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2006-01-31 | — | — | US | disclosed |
| US-6864372-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2005-03-08 | — | — | US | disclosed |
| US-6794519-B2 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2004-09-21 | — | — | US | disclosed |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| US-20030176711-A1 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | US | disclosed |
| US-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-08-28 | — | — | US | disclosed |
| EP-1288198-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | KANEKA CORPORATION (JP) | 2003-03-05 | — | — | EP | 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 (3 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-20030162966-A1 | PROCESS FOR THE PRODUCTION OF SULFONIC ESTERS | TST, STS, SELENOI | HTR2A 4364/4885DRD2 2351/4885ALDH1A1 646/4885 |
| US-20030176711-A1 | Process for the production of sulfonic esters | TST, STS, SELENOI | HTR2A 4364/4885DRD2 2351/4885ALDH1A1 646/4885 |
| US-20030176713-A1 | Reacting an amino alcohol derivative with organic sulfonyl halide in a mixed solvent composed of an aprotic organic solvent and water in presence of a non-water prohibiting inorganic base | BRAF, ADH1C, TST | HTR2A 3757/4885DRD2 1189/4885ALDH1A1 498/4885 |
“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.