Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | TP53 | P04637 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | ESR1 | P03372 | 3/20 | 0.46 |
| ▸ | KDM6B | O15054 | 1/20 | 0.46 |
| ▸ | KDM6A | O15550 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.44 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL5832201 | 0.87 | NPC1 (0.47) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5832504 | 0.85 | NPC1 (0.54) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5832027 | 0.85 | NPC1 (0.47) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL2493176 | 0.85 | PTGS2 (0.52) | ESR2PTGS2NPC1KDM4EALDH1A1 | |
| SCHEMBL5831686 | 0.85 | NPC1 (0.52) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5831901 | 0.81 | HSPD1 (0.46) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL660569 | 0.81 | NPC1 (0.67) | PTGS2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5832135 | 0.81 | NPC1 (0.50) | ESR2NPC1KDM4EALDH1A1HPGD | |
| SCHEMBL5831917 | 0.80 | MMP2 (0.55) | NPC1KDM4EALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL5831880 | 0.80 | NPC1 (0.54) | PTGS2NPC1KDM4EALDH1A1HPGD |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7087601-B2 | Metabotropic glutamate receptor-5 modulators | MERCK & CO., INC. (US) | 2006-08-08 | — | — | US | disclosed |
| EP-1453815-A4 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| US-20050065340-A1 | Metabotropic glutamate receptor-5 modulators | MERCK SHARP & DOHME CORP. | 2005-03-24 | — | — | US | disclosed |
| EP-1453815-A1 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | Merck & Co., Inc. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | disclosed |
| WO-2003048137-A1 | METABOTROPIC GLUTAMATE RECEPTOR-5 MODULATORS | MERCK & CO., INC. (US) | 2003-06-12 | — | — | 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-20050065340-A1 | Metabotropic glutamate receptor-5 modulators | GRM5, GRIK5, GRM1 | ESR2 644/4885PTGS2 1019/4885NPC1 3080/4885 |
“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.