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 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB known ✓ | P27338 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.81 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | BCHE | P06276 | 3/20 | 0.51 |
| ▸ | LTA4H | P09960 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5744592 | 0.92 | ALDH1A1 (0.66) | ALDH1A1KDM4ESMN1; SMN2BCHELTA4H | |
| SCHEMBL5743125 | 0.92 | ALDH1A1 (0.66) | ALDH1A1KDM4ESMN1; SMN2BCHELTA4H | |
| SCHEMBL5205368 | 0.90 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL1552926 | 0.90 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL1787570 | 0.90 | ALDH1A1 (1.00) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL5343928 | 0.88 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| Methane SCHEMBL7287824 | 0.88 | ALDH1A1 (0.97) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5743307 | 0.87 | ALDH1A1 (0.69) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL2538632 | 0.85 | ALDH1A1 (0.90) | ALDH1A1CYP3A4CYP2D6CYP1A2CYP2C19 | |
| SCHEMBL5746135 | 0.85 | FUCA1 (0.57) | ALDH1A1CYP2D6SMN1; SMN2MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| 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-20030176711-A1 | Process for the production of sulfonic esters | KANEKA CORPORATION (JP) | 2003-09-18 | — | — | 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-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 | MAOB 3129/4885ALDH1A1 646/4885CYP3A4 188/4885 |
| US-20030176711-A1 | Process for the production of sulfonic esters | TST, STS, SELENOI | MAOB 3129/4885ALDH1A1 646/4885CYP3A4 188/4885 |
| 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 | MAOB 3182/4885ALDH1A1 498/4885CYP3A4 1138/4885 |
“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.