Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 11/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | FAAH | O00519 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13624854 | 0.82 | SIGMAR1 (0.71) | SIGMAR1KDM4EALDH1A1DRD2 | |
| SCHEMBL3452566 | 0.79 | SIGMAR1 (0.46) | SIGMAR1KDM4EALDH1A1HTR7DRD2 | |
| SCHEMBL30671736 | 0.78 | SIGMAR1 (0.70) | SIGMAR1FAAHHTR7 | |
| SCHEMBL3450484 | 0.78 | DRD2 (0.49) | SIGMAR1HTR7DRD2SLC6A4SLC6A3 | |
| SCHEMBL12879686 | 0.77 | HRH3 (0.66) | SIGMAR1KDM4EALDH1A1FAAHMEN1 | |
| SCHEMBL4572801 | 0.76 | SIGMAR1 (0.60) | SIGMAR1MEN1KMT2AKDM1A | |
| SCHEMBL5857315 | 0.76 | MEN1 (0.56) | SIGMAR1MEN1KMT2AKDM1A | |
| SCHEMBL3451685 | 0.75 | DRD2 (0.46) | SIGMAR1HTR7DRD2SLC6A4SLC6A3 | |
| SCHEMBL3917179 | 0.74 | DRD4 (0.46) | SIGMAR1HTR7DRD2SLC6A4SLC6A3 | |
| SCHEMBL12961311 | 0.73 | SIGMAR1 (0.53) | SIGMAR1KDM4EALDH1A1MEN1KMT2A |
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 | SIGMAR1 1763/4885KDM4E 1982/4885ALDH1A1 2393/4885 |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | CTSK, CTSZ, CTSE | SIGMAR1 1959/4885KDM4E 1465/4885ALDH1A1 2727/4885 |
“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.