Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | BACE1 | P56817 | 8/20 | 0.38 |
| ▸ | APP | P05067 | 3/20 | 0.38 |
| ▸ | TACR2 | P21452 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 1/20 | 0.37 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13388159 | 0.88 | KDM4E (0.45) | ALDH1A1KDM4EKMT2AMEN1BACE1 | |
| SCHEMBL13388085 | 0.81 | CNR2 (0.44) | ALDH1A1KDM4EKMT2AMEN1BACE1 | |
| SCHEMBL642847 | 0.80 | ALDH1A1 (0.60) | ALDH1A1KDM4EKMT2AMEN1TACR2 | |
| SCHEMBL13730496 | 0.77 | ALDH1A1 (0.45) | ALDH1A1KDM4EKMT2AMEN1BACE1 | |
| SCHEMBL13555907 | 0.77 | MCHR1 (0.46) | ALDH1A1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL256758 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2AMEN1RAB9A | |
| SCHEMBL13388103 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EKMT2AMEN1RAB9A | |
| SCHEMBL13388254 | 0.74 | GRM5 (0.50) | — | |
| SCHEMBL20460410 | 0.73 | ALDH1A1 (0.47) | ALDH1A1KDM4ETACR2TACR1RAB9A | |
| SCHEMBL13555902 | 0.73 | MLNR (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2699547-B1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-03-04 | — | — | EP | disclosed |
| EP-2699547-B1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | HOFFMANN LA ROCHE (CH) | 2015-03-04 | — | — | EP | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| US-8772300-B2 | Phenyl or pyridinyl-ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2014-07-08 | — | — | US | disclosed |
| EP-2699547-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. Hoffmann-La Roche AG (CH) | 2014-02-26 | — | — | EP | disclosed |
| WO-2012143340-A1 | 5-(PHENYL/PYRIDINYL-ETHINYL)-2-PYRIDINE/ 2-PYRIMIDINE-CARBORXAMIDES AS MGLUR5 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-26 | — | — | WO | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | US | disclosed |
| US-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2012-10-25 | — | — | 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 (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-20120270852-A1 | PHENYL OR PYRIDINYL-ETHYNYL DERIVATIVES | GRM5, GRM1, GRM3 | ALDH1A1 2723/4885KDM4E 768/4885KMT2A 1688/4885 |
“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.