Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.60 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.49 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HRH1 | P35367 | 1/20 | 0.45 |
| ▸ | CCR3 | P51677 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4688942 | 0.85 | SPHK1 (0.61) | SPHK1SIGMAR1 | |
| SCHEMBL15650736 | 0.84 | SIGMAR1 (0.60) | SPHK1SIGMAR1ACHEHRH3HRH1 | |
| SCHEMBL7550067 | 0.84 | SPHK1 (0.60) | SPHK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL7983946 | 0.83 | SIGMAR1 (0.70) | SPHK1SIGMAR1CCR3MEN1TP53 | |
| Hydrochloric Acid SCHEMBL7986320 | 0.83 | SPHK1 (0.58) | SPHK1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL15922482 | 0.81 | SPHK1 (0.89) | SPHK1SIGMAR1ACHEHRH1MEN1 | |
| SCHEMBL3451698 | 0.80 | SIGMAR1 (0.63) | SIGMAR1HRH3HRH1LTA4H | |
| SCHEMBL6423551 | 0.80 | SIGMAR1 (0.63) | SIGMAR1HRH3HRH1LTA4H | |
| SCHEMBL10438853 | 0.79 | SIGMAR1 (0.69) | SPHK1SIGMAR1CCR3MEN1TP53 | |
| SCHEMBL15921870 | 0.78 | SPHK1 (0.89) | SPHK1SIGMAR1HRH1CCR3MEN1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7820818-B2 | Heteroaryl nitrile derivatives | NOVARTIS AG (CH) | 2010-10-26 | — | — | US | disclosed |
| US-20090227596-A1 | HETEROARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2009-09-10 | — | — | US | disclosed |
| US-7544688-B2 | Hetereoaryl nitrile derivatives | NOVARTIS AG (CH) | 2009-06-09 | — | — | US | disclosed |
| EP-1537111-B1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2007-05-02 | — | — | EP | disclosed |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | NOVARTIS AG (CH) | 2006-06-29 | — | — | US | disclosed |
| EP-1537111-A1 | HETEREOARYL NITRILE DERIVATIVES | Novartis AG (CH) | 2005-06-08 | — | — | EP | disclosed |
| WO-2004020441-A1 | HETEREOARYL NITRILE DERIVATIVES | NOVARTIS AG (CH) | 2004-03-11 | — | — | 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 (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-20090227596-A1 | HETEROARYL NITRILE DERIVATIVES | CTSK, CTSS, CTSZ | SPHK1 688/4885SIGMAR1 1763/4885ACHE 715/4885 |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | CTSK, CTSZ, CTSE | SPHK1 952/4885SIGMAR1 1959/4885ACHE 499/4885 |
“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.