Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 2/20 | 0.45 |
| ▸ | LTA4H | P09960 | 1/20 | 0.44 |
| ▸ | CCR3 | P51677 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.40 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3452060 | 1.00 | MCHR1 (0.45) | MCHR1LTA4HCCR3S1PR1SMN1; SMN2 | |
| SCHEMBL3452734 | 0.82 | S1PR1 (0.60) | MCHR1LTA4HCCR3S1PR1SMN1; SMN2 | |
| SCHEMBL3452738 | 0.82 | S1PR1 (0.60) | MCHR1LTA4HCCR3S1PR1SMN1; SMN2 | |
| SCHEMBL3450537 | 0.80 | LTA4H (0.61) | LTA4HSMN1; SMN2LMNAGAACYP1A2 | |
| SCHEMBL3450541 | 0.80 | LTA4H (0.61) | LTA4HSMN1; SMN2LMNAGAACYP1A2 | |
| SCHEMBL3451861 | 0.80 | GPR4 (0.52) | LTA4HSMN1; SMN2PLA2G1BATG4BLMNA | |
| SCHEMBL3451857 | 0.80 | GPR4 (0.52) | LTA4HSMN1; SMN2PLA2G1BATG4BLMNA | |
| SCHEMBL3450973 | 0.78 | LTA4H (0.46) | LTA4HSMN1; SMN2HTTKDM4ELMNA | |
| SCHEMBL27607097 | 0.78 | LTA4H (0.46) | LTA4HSMN1; SMN2LMNAGAACYP1A2 | |
| SCHEMBL3450970 | 0.78 | LTA4H (0.46) | LTA4HSMN1; SMN2HTTKDM4ELMNA |
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 | MCHR1 4505/4885LTA4H 782/4885CCR3 2516/4885 |
| US-20060142575-A1 | Hetereoaryl nitrile derivatives | CTSK, CTSZ, CTSE | MCHR1 4003/4885LTA4H 591/4885CCR3 2049/4885 |
“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.