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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 4/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NT5E | P21589 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | SLC6A6 | P31641 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | BLM | P54132 | 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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL17102581 | 0.90 | CA5A (0.40) | CA2CA1TSHRNT5ECA4 | |
| SCHEMBL699902 | 0.85 | CA2 (0.33) | CA2CA1TSHRNT5ECA4 | |
| Hydrochloric Acid SCHEMBL27543557 | 0.80 | CA2 (0.30) | CA2 | |
| Trifluoromethanesulfonic Acid SCHEMBL6830099 | 0.80 | CA1 (0.36) | CA2CA1CA7ALDH1A1 | |
| SCHEMBL4411396 | 0.80 | CA2 (0.36) | CA2CA1TSHR | |
| SCHEMBL44443 | 0.79 | — | — | |
| Tromethamine SCHEMBL11143695 | 0.79 | MEN1 (0.59) | CA2CA1TSHRNT5ECA4 | |
| Bicarbonate SCHEMBL4357750 | 0.78 | MEN1 (0.42) | CA2CA1CA9MEN1KMT2A | |
| SCHEMBL17456428 | 0.76 | CA1 (0.44) | CA2CA1TP53 | |
| Alcohol SCHEMBL239042 | 0.76 | TSHR (0.46) | TSHRMEN1KMT2AALDH1A1LMNA |
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-20080033209-A1 | Method For High-Purity Quaternary Ammonium Compounds | BASF AKTIENGSELLSCHAFT (DE) | 2008-02-07 | — | — | US | disclosed |
| US-20080009633-A1 | Method for Producing High-Purity Quaternary Ammonium Compounds | BASF AKTIENGESELLSCHAFT (DE) | 2008-01-10 | — | — | 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 (2 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-20080033209-A1 | Method For High-Purity Quaternary Ammonium Compounds | ATL3, SMYD3, SP1 | CA2 1027/4885CA1 1878/4885TSHR 3940/4885 |
| US-20080009633-A1 | Method for Producing High-Purity Quaternary Ammonium Compounds | SP1, EIF3A, EIF3H | CA2 346/4885CA1 613/4885TSHR 2980/4885 |
“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.