Known targets — ChEMBL curated mechanism
ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol
The experimentally established mechanism targets of Tributylmethylammonium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | BBOX1 | O75936 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL4641504 | 0.87 | CA12 (0.32) | BBOX1 | |
| SCHEMBL4441583 | 0.81 | BBOX1 (0.43) | BBOX1CYP1A2 | |
| SCHEMBL1028451 | 0.79 | BBOX1 (0.41) | BBOX1 | |
| Tributylmethylammonium SCHEMBL1618259 | 0.78 | BBOX1 (0.40) | BBOX1 | |
| Fluoride SCHEMBL29057134 | 0.78 | BBOX1 (0.40) | BBOX1 | |
| Sulfuric Acid SCHEMBL10988452 | 0.74 | NAAA (0.36) | BBOX1CYP1A2 | |
| SCHEMBL1030997 | 0.74 | SHBG (0.35) | CYP1A2 | |
| SCHEMBL27081613 | 0.74 | SHBG (0.35) | CYP1A2 | |
| SCHEMBL27505914 | 0.74 | NAAA (0.40) | — | |
| Sulfuric Acid SCHEMBL10912468 | 0.74 | CYP1A2 (0.36) | BBOX1CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7553406-B2 | Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons | MERCK PATENT GMBH (DE) | 2009-06-30 | — | — | US | disclosed |
| US-20050010076-A1 | Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons | MERCK PATENT GMBH (DE) | 2005-01-13 | — | — | 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-20050010076-A1 | Process for removing polar impurities from hydrocarbons and mixtures of hydrocarbons | H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, AHR, HNRNPH3 | BCHE 1083/4885ACHE 3700/4885BBOX1 2394/4885 |
“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.