Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
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 | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 7/20 | 0.50 |
| ▸ | LMNA | P02545 | 5/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4246252 | 1.00 | KCNH2 (0.52) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4246458 | 1.00 | KCNH2 (0.52) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL5884144 | 0.91 | KCNH2 (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4539898 | 0.91 | KCNH2 (0.53) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4246257 | 0.88 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4246464 | 0.88 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL4535938 | 0.88 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL5990145 | 0.88 | KCNH2 (0.41) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL331519 | 0.87 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 | |
| SCHEMBL8986462 | 0.87 | KCNH2 (0.57) | KCNH2HTTLMNACYP2D6CYP2C9 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090171111-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CLARIANT FINANCE (BVI) LIMITED (VG) | 2009-07-02 | — | — | US | disclosed |
| EP-2001835-A1 | METHOD FOR PRODUCING AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD. (CH) | 2008-12-17 | — | — | EP | disclosed |
| EP-2001834-A1 | IMPROVED METHOD FOR PRODUCING SODIUM CHLORIDE-FREE AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD. (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110162-A1 | METHOD FOR PRODUCING AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD (CH) | 2007-10-04 | — | — | WO | disclosed |
| WO-2007110161-A1 | IMPROVED METHOD FOR PRODUCING SODIUM CHLORIDE-FREE AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD (CH) | 2007-10-04 | — | — | WO | 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-20090171111-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CBR3, MSRB3, CBR1 | KCNH2 147/4885HTT 2298/4885LMNA 4789/4885 |
“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.