Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.59 |
| ▸ | RAB9A | P51151 | 5/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.59 |
| ▸ | STAT1 | P42224 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 1/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | OGT | O15294 | 2/20 | 0.48 |
| ▸ | ATIC | P31939 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.47 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 8/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13715633 | 0.89 | RAB9A (0.45) | NPC1RAB9ASMN1; SMN2TP53STAT1 | |
| SCHEMBL5218811 | 0.88 | RAB9A (0.68) | NPC1RAB9ASMN1; SMN2TP53STAT1 | |
| SCHEMBL5220954 | 0.83 | KMT2A (0.54) | TP53OGTKDM4EKMT2AMEN1 | |
| SCHEMBL5219466 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL14381236 | 0.80 | BCHE (0.63) | NPC1RAB9ASMN1; SMN2KDM4EHSP90AA1 | |
| SCHEMBL5216495 | 0.80 | GRM4 (0.54) | NPC1RAB9ASMN1; SMN2KDM4EGAA | |
| SCHEMBL5219136 | 0.77 | NPC1 (0.50) | NPC1RAB9ASMN1; SMN2POLBHTT | |
| SCHEMBL5215574 | 0.77 | GRM4 (0.56) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL5216714 | 0.77 | MAPT (0.50) | NPC1RAB9ASMN1; SMN2HTTKDM4E | |
| SCHEMBL5216003 | 0.75 | NPC1 (0.62) | NPC1RAB9ASMN1; SMN2TP53STAT1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1458383-B1 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2007-11-21 | — | — | EP | claimed |
| EP-1458383-A4 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO INC (US) | 2005-05-25 | — | — | EP | claimed |
| US-20050026963-A1 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK SHARP & DOHME LLC | 2005-02-03 | — | — | US | claimed |
| EP-1458383-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | Merck & Co., Inc. (US) | 2004-09-22 | — | — | EP | claimed |
| WO-2004030637-A2 | TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE | MERCK & CO., INC. (US) | 2004-04-15 | — | — | WO | claimed |
| WO-2003051833-A2 | HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 | MERCK & CO., INC. (US) | 2003-06-26 | — | — | WO | claimed |
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-20050026963-A1 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2C | NPC1 4205/4885RAB9A 1352/4885SMN1; SMN2 4541/4885 |
“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.