Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASAH1 | Q13510 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | ACER2 | Q5QJU3 | 1/20 | 0.49 |
| ▸ | NAAA | Q02083 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CES2 | O00748 | 2/20 | 0.44 |
| ▸ | CES1 | P23141 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.44 |
| ▸ | MME | P08473 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL22471835 | 0.98 | NAAA (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL28256178 | 0.98 | NAAA (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL22471826 | 0.98 | NAAA (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL22471814 | 0.98 | NAAA (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL22471868 | 0.98 | NAAA (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL1508070 | 0.94 | POLB (0.54) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL4444443 | 0.91 | TBXAS1 (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL1911433 | 0.91 | TBXAS1 (0.51) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL1518057 | 0.89 | TBXAS1 (0.54) | ASAH1ALDH1A1ACER2NAAAPOLB | |
| SCHEMBL2552649 | 0.89 | TBXAS1 (0.54) | ASAH1ALDH1A1ACER2NAAAPOLB |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0045534-B1 | USE OF PHENYL-N-HEXYL KETONE AS A PERFUMING AGENT, AND PERFUME COMPOSITIONS CONTAINING THE SAME | FIRMENICH SA (CH) | 1983-12-21 | — | — | EP | claimed |
| US-7405221-B2 | Substituted pyrimidines | MERCK & CO., INC. (US) | 2008-07-29 | — | — | US | disclosed |
| US-7271266-B2 | Substituted 2,3-diphenyl pyridines | MERCK & CO., INC. (US) | 2007-09-18 | — | — | US | disclosed |
| US-20050245554-A1 | Substituted pyrimidines | MERCK SHARP & DOHME CORP. | 2005-11-03 | — | — | US | disclosed |
| US-20050182103-A1 | Substituted 2,3-diphenyl pyridines | MERCK SHARP & DOHME CORP. | 2005-08-18 | — | — | US | disclosed |
| EP-1546115-A2 | SUBSTITUTED PYRIMIDINES | Merck & Co., Inc. (US) | 2005-06-29 | — | — | EP | disclosed |
| EP-1492784-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | Merck & Co., Inc. (US) | 2005-01-05 | — | — | EP | disclosed |
| WO-2004029204-A2 | SUBSTITUTED PYRIMIDINES | MERCK & CO., INC. (US) | 2004-04-08 | — | — | WO | disclosed |
| WO-2003082191-A2 | SUBSTITUTED 2,3-DIPHENYL PYRIDINES | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| EP-0045534-A1 | Use of phenyl-n-hexyl ketone as a perfuming agent, and perfume compositions containing the same | FIRMENICH SA (CH) | 1982-02-10 | — | — | EP | disclosed |
| EP-0045534-A1 | Use of phenyl-n-hexyl ketone as a perfuming agent, and perfume compositions containing the same | FIRMENICH SA (CH) | 1982-02-10 | — | — | EP | 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-20050182103-A1 | Substituted 2,3-diphenyl pyridines | CNR1, CNR2, MAG | ASAH1 2609/4885ALDH1A1 2993/4885ACER2 1178/4885 |
| US-20050245554-A1 | Substituted pyrimidines | CNR1, CNR2, GPR119 | ASAH1 1186/4885ALDH1A1 3049/4885ACER2 572/4885 |
“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.