Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 6/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.39 |
| ▸ | RAD52 | P43351 | 2/20 | 0.39 |
| ▸ | RECQL | P46063 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5078709 | 0.89 | RECQL (0.40) | HTTSMN1; SMN2RAB9ALMNAKMT2A | |
| SCHEMBL4660265 | 0.87 | RECQL (0.58) | HTTSMN1; SMN2RAB9ALMNAKMT2A | |
| SCHEMBL10420709 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL5880997 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| Didecyldimethylammonium SCHEMBL3936454 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL1547985 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL7767862 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL10806075 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL5803866 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 | |
| SCHEMBL27542884 | 0.85 | HTT (0.60) | HTTLMNAKMT2ADNM1HSP90AA1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090149668-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CLARIANT INTERNATIONAL, LTD. (CH) | 2009-06-11 | — | — | US | disclosed |
| EP-2001836-A1 | IMPROVED METHOD FOR PRODUCING SODIUM CHLORIDE-FREE AMMONIUM NITRILES | CLARIANT INTERNATIONAL LTD. (CH) | 2008-12-17 | — | — | EP | disclosed |
| WO-2007110163-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-20090149668-A1 | Method for Producing Sodium Chloride-Free Ammonium Nitriles | CBR3, CBR1, AKR1C3 | HTT 2436/4885SMN1; SMN2 3631/4885RAB9A 4251/4885 |
“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.