Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.31 |
| ▸ | EDNRB | P24530 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11030024 | 0.87 | ACHE (0.42) | ACHEKMT2AMEN1GAAMAPK1 | |
| SCHEMBL5898465 | 0.87 | NOS3 (0.40) | NOS3NOS2ACHEHSD17B10KDM5B | |
| SCHEMBL7129717 | 0.85 | NOS3 (0.43) | NOS3NOS2KMT2ANPC1RAB9A | |
| SCHEMBL17932864 | 0.83 | NPC1 (0.37) | NOS3NOS2KMT2AMEN1GAA | |
| SCHEMBL20072601 | 0.83 | ACHE (0.42) | NOS3NOS2ACHEHSD17B10KDM5B | |
| SCHEMBL377724 | 0.82 | ACHE (0.43) | ACHEKMT2AMEN1GAAMAPK1 | |
| SCHEMBL18501666 | 0.79 | NOS3 (0.44) | NOS3NOS2NPC1RAB9AKDM5B | |
| SCHEMBL16346209 | 0.78 | RECQL (0.47) | NOS3NOS2ACHEKMT2AGAA | |
| Hydrochloric Acid SCHEMBL18489384 | 0.78 | NOS3 (0.42) | NOS3NOS2GAANPC1RAB9A | |
| SCHEMBL16345715 | 0.78 | NOS2 (0.57) | NOS3NOS2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016128529-A1 | 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-08-18 | — | — | WO | disclosed |
| US-8697732-B2 | Pyridine derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2014-04-15 | — | — | US | disclosed |
| US-20120195930-A1 | NOVEL PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD. (CH) | 2012-08-02 | — | — | US | disclosed |
| US-8178562-B2 | Pyridine derivatives | ACTELION PHARMACEUTICALS, LTD. (CH) | 2012-05-15 | — | — | US | disclosed |
| CN-101370805-B | Pyridine derivatives | ACTELION PHARMACEUTICALS LTD | 2011-04-27 | — | — | CN | disclosed |
| EP-1979345-B1 | NOVEL PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2009-11-04 | — | — | EP | disclosed |
| CN-101370805-A | Novel pyridine derivatives | ACTELION PHARMACEUTICALS LTD (CH) | 2009-02-18 | — | — | CN | disclosed |
| US-20090005421-A1 | Novel Pyridine Derivatives | ACTELION PHARMACEUTICALS LTD. (CH) | 2009-01-01 | — | — | US | disclosed |
| EP-1979345-A2 | NOVEL PYRIDINE DERIVATIVES | Actelion Pharmaceuticals Ltd. (CH) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007086001-A2 | NOVEL PYRIDINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2007-08-02 | — | — | 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-20090005421-A1 | Novel Pyridine Derivatives | NFATC1, TPMT, CD47 | NOS3 1902/4885NOS2 1762/4885ACHE 4202/4885 |
| US-20120195930-A1 | NOVEL PYRIDINE DERIVATIVES | NFATC1, TPMT, CD47 | NOS3 1902/4885NOS2 1762/4885ACHE 4202/4885 |
“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.