Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.40 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.40 |
| ▸ | CHRNA2 | Q15822 | 3/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15544407 | 0.98 | KCNH2 (0.45) | KCNH2FFAR1FFAR4GRM5MMP2 | |
| SCHEMBL3930779 | 0.94 | GRM5 (0.42) | GRM5CHRNB2CHRNA4MAPTCHRNA2 | |
| SCHEMBL9741037 | 0.81 | CHRNB2 (0.46) | GRM5CHRNB2CHRNA4MAPTCHRNA2 | |
| SCHEMBL3064618 | 0.79 | CHRNB2 (0.67) | KCNH2GRM5MMP2MMP12CHRNB2 | |
| SCHEMBL29187190 | 0.78 | CHRNB2 (0.65) | KCNH2FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL5654809 | 0.78 | FFAR1 (0.38) | KCNH2FFAR1FFAR4GRM5MMP2 | |
| SCHEMBL17050214 | 0.77 | GRM5 (0.48) | GRM5CHRNB2CHRNA4 | |
| SCHEMBL24642389 | 0.77 | CHRNB2 (0.47) | KCNH2FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL7166353 | 0.77 | FFAR1 (0.49) | KCNH2FFAR1FFAR4MMP2MMP12 | |
| SCHEMBL29187197 | 0.76 | FFAR1 (0.51) | KCNH2FFAR1FFAR4MMP2MMP12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8541434-B2 | Ethynyl-substituted pyridine and pyrimidine derivatives and their use in treating viral infections | MERCK SHARP & DOHME CORP. (US) | 2013-09-24 | — | — | US | disclosed |
| US-20120107271-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2012-05-03 | — | — | US | disclosed |
| EP-2331511-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | Schering Corporation (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010022125-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | SCHERING CORPORATION (US) | 2010-02-25 | — | — | 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 (1 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-20120107271-A1 | ETHYNYL-SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | CYP2C9, P2RX3, F12 | KCNH2 2397/4885FFAR1 1114/4885FFAR4 1365/4885 |
“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.