Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.33 |
| ▸ | EP300 | Q09472 | 1/20 | 0.33 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OGFRL1 | Q5TC84 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.32 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.32 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.32 |
| ▸ | MTOR | P42345 | 1/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | NPY1R | P25929 | 2/20 | 0.31 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.31 |
| ▸ | SELE | P16581 | 1/20 | 0.31 |
| ▸ | TGFBR1 | P36897 | 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 | |
|---|---|---|---|---|
| SCHEMBL962706 | 0.92 | OPRM1 (0.35) | CNR2CNR1KCNH2CREBBPEP300 | |
| SCHEMBL113428 | 0.91 | KCNH2 (0.36) | CNR2KCNH2CREBBPEP300GCK | |
| SCHEMBL113716 | 0.91 | KCNH2 (0.41) | CNR2KCNH2CREBBPEP300MTOR | |
| SCHEMBL163419 | 0.89 | KCNH2 (0.37) | CNR2CNR1KCNH2CREBBPEP300 | |
| SCHEMBL113359 | 0.88 | ALOX5AP (0.34) | CNR2KCNH2CREBBPEP300GCK | |
| SCHEMBL114808 | 0.83 | CREBBP (0.36) | CREBBPEP300GCKOPRM1OPRD1 | |
| SCHEMBL7012955 | 0.81 | KCNH2 (0.35) | KCNH2CREBBPEP300MTORNPY1R | |
| SCHEMBL503981 | 0.81 | KCNQ3 (0.36) | KCNH2NPY1RTGFBR1BRD4KCNQ3 | |
| SCHEMBL7014486 | 0.79 | KCNH2 (0.39) | KCNH2CREBBPEP300GCKKDM4C | |
| SCHEMBL962329 | 0.78 | HTR2C (0.33) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2424860-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-03-07 | — | — | EP | disclosed |
| US-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | MSD K.K. (JP) | 2012-02-02 | — | — | US | disclosed |
| US-20110015181-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2011-01-20 | — | — | US | disclosed |
| EP-2264026-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | Banyu Pharmaceutical Co., Ltd. (JP) | 2010-12-22 | — | — | EP | disclosed |
| WO-2010126163-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | BANYU PHARMACEUTICAL CO.,LTD. (JP) | 2010-11-04 | — | — | 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-20120028970-A1 | HETEROARYLTHIOMETHYL PYRIDINE DERIVATIVE | AR, NR5A1, ARL1 | CNR2 715/4885CNR1 181/4885KCNH2 3202/4885 |
| US-20110015181-A1 | ALKYLAMINOPYRIDINE DERIVATIVE | NPY4R, NPY1R, NPY2R | CNR2 45/4885CNR1 66/4885KCNH2 1295/4885 |
“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.