Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | SMO | Q99835 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | PPIA | P62937 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.32 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.31 |
| ▸ | SYK | P43405 | 1/20 | 0.31 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | EDNRA | P25101 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | IRAK1 | P51617 | 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 | |
|---|---|---|---|---|
| SCHEMBL18519550 | 0.78 | MAPT (0.50) | — | |
| SCHEMBL29518465 | 0.77 | SSTR4 (0.37) | P2RX7PPIAGSK3BDYRK1AGABRA1 | |
| SCHEMBL22825882 | 0.77 | SSTR4 (0.37) | P2RX7PPIAGSK3BDYRK1AGABRA1 | |
| SCHEMBL4491782 | 0.76 | BCHE (0.46) | HCAR3STK17BSTK17A | |
| SCHEMBL30231113 | 0.75 | GSK3B (0.44) | NAMPTGSK3BDYRK1AGRIN2BHDAC1 | |
| SCHEMBL4398253 | 0.75 | GSK3B (0.44) | NAMPTGSK3BDYRK1AGRIN2BHDAC1 | |
| SCHEMBL2714677 | 0.74 | KIT (0.38) | P2RX7GSK3BDYRK1AGABRA1GABRG2 | |
| SCHEMBL12810107 | 0.74 | P2RX7 (0.37) | P2RX7SMOPPIASYKAAK1 | |
| SCHEMBL1666761 | 0.74 | P2RX7 (0.45) | P2RX7SMOPPIA | |
| SCHEMBL2391676 | 0.73 | AKT1 (0.36) | GSK3BDYRK1AGABRA1GABRG2GABRB3 |
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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9315498-B2 | Arlethynyl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2016-04-19 | — | — | US | disclosed |
| US-9315498-B2 | Arlethynyl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2016-04-19 | — | — | US | disclosed |
| US-9315498-B2 | Arlethynyl derivatives | HOFFMAN-LA ROCHE INC. (US) | 2016-04-19 | — | — | US | disclosed |
| EP-2558457-B1 | ARYLETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-03-09 | — | — | EP | disclosed |
| EP-2558457-B1 | ARYLETHYNYL DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2016-03-09 | — | — | EP | disclosed |
| US-20140155602-A1 | Arlethynyl Derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-06-05 | — | — | US | disclosed |
| US-8618296-B2 | Arylethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-12-31 | — | — | US | disclosed |
| US-20130274464-A1 | Arylethynyl Derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2013-10-17 | — | — | US | disclosed |
| US-20130274464-A1 | Arylethynyl Derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2013-10-17 | — | — | US | disclosed |
| US-20130274464-A1 | Arylethynyl Derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2013-10-17 | — | — | US | disclosed |
| US-20130178456-A1 | ARYLETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2013-07-11 | — | — | US | disclosed |
| US-8420661-B2 | Arylethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-8420661-B2 | Arylethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | disclosed |
| US-8420661-B2 | Arylethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2013-04-16 | — | — | US | disclosed |
| EP-2558457-A1 | ARYLETHYNYL DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-20 | — | — | EP | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |
| WO-2011128279-A1 | ARYLETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-20 | — | — | WO | disclosed |
| US-20110251169-A1 | Arylethynyl derivatives | HOFFMANN-LA ROCHE, INC. | 2011-10-13 | — | — | US | disclosed |
| US-20110251169-A1 | Arylethynyl derivatives | HOFFMANN-LA ROCHE, INC. | 2011-10-13 | — | — | US | disclosed |
| US-20110251169-A1 | Arylethynyl derivatives | HOFFMANN-LA ROCHE, INC. | 2011-10-13 | — | — | US | 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 (4 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-20130178456-A1 | ARYLETHYNYL DERIVATIVES | GRM5, GRM1, GRM3 | P2RX7 318/4885SMO 1855/4885NAMPT 4087/4885 |
| US-20140155602-A1 | Arlethynyl Derivatives | GRM5, GRIK5, GRM1 | P2RX7 421/4885SMO 1433/4885NAMPT 4627/4885 |
| US-20130274464-A1 | Arylethynyl Derivatives | GRM5, GRM1, GRM3 | P2RX7 318/4885SMO 1855/4885NAMPT 4087/4885 |
| US-20110251169-A1 | Arylethynyl derivatives | GRM5, GRM1, GRM3 | P2RX7 318/4885SMO 1855/4885NAMPT 4087/4885 |
“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.