Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | FBP1 | P09467 | 3/20 | 0.43 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.37 |
| ▸ | VCAM1 | P19320 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | MMP12 | P39900 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6167267 | 0.90 | FBP1 (0.48) | ALDH1A1FBP1GRM4TNFCNR1 | |
| SCHEMBL28055450 | 0.81 | ALDH1A1 (0.62) | ALDH1A1FBP1GSK3BL3MBTL1KCNJ1 | |
| SCHEMBL28055451 | 0.81 | ALDH1A1 (0.62) | ALDH1A1FBP1GSK3BL3MBTL1KCNJ1 | |
| SCHEMBL3235781 | 0.78 | ALDH1A1 (0.53) | ALDH1A1FBP1MEN1HPGDKMT2A | |
| SCHEMBL8949484 | 0.77 | GSK3B (0.49) | ALDH1A1FBP1GRM4TNFGSK3B | |
| SCHEMBL6540746 | 0.77 | S1PR1 (0.45) | GRM4TNFGSK3BENPP2GLA | |
| SCHEMBL6481575 | 0.77 | S1PR1 (0.45) | GRM4TNFGSK3BENPP2GLA | |
| SCHEMBL4697927 | 0.77 | S1PR1 (0.45) | GRM4TNFGSK3BENPP2GLA | |
| SCHEMBL23549441 | 0.76 | ALDH1A1 (0.65) | ALDH1A1GRM4MEN1HPGDKMT2A | |
| SCHEMBL528891 | 0.76 | ALDH1A1 (0.51) | ALDH1A1FBP1MEN1HPGDKMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458708-B1 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-09-26 | — | — | EP | disclosed |
| US-7105548-B2 | Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2006-09-12 | — | — | US | disclosed |
| EP-1458708-A4 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-11-16 | — | — | EP | disclosed |
| US-20050020585-A1 | Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME CORP. | 2005-01-27 | — | — | US | disclosed |
| EP-1458708-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | 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-2003051315-A2 | HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | 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-20050020585-A1 | Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN3A | ALDH1A1 2269/4885FBP1 4579/4885GRM4 11/4885 |
“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.