Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 2/20 | 0.60 |
| ▸ | MCHR1 | Q99705 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CCR3 | P51677 | 1/20 | 0.48 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.44 |
| ▸ | LTA4H | P09960 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3452738 | 1.00 | S1PR1 (0.60) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL7304622 | 0.87 | S1PR1 (0.67) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL7304629 | 0.87 | S1PR1 (0.67) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL3452061 | 0.82 | MCHR1 (0.45) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL3452060 | 0.82 | MCHR1 (0.45) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL27607097 | 0.76 | LTA4H (0.46) | SMN1; SMN2USP2MEN1LMNAKMT2A | |
| SCHEMBL11389782 | 0.76 | MCHR1 (0.61) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 | |
| SCHEMBL3451867 | 0.76 | LMNA (0.51) | KDM4ESMN1; SMN2USP2MEN1LMNA | |
| SCHEMBL3451865 | 0.76 | LMNA (0.51) | KDM4ESMN1; SMN2USP2MEN1LMNA | |
| SCHEMBL11389788 | 0.76 | MCHR1 (0.61) | S1PR1MCHR1KDM4ESMN1; SMN2CCR3 |
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 | S1PR1 3753/4885MCHR1 4505/4885KDM4E 1982/4885 |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | CTSK, CTSZ, CTSE | S1PR1 3726/4885MCHR1 4003/4885KDM4E 1465/4885 |
“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.