Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 12/20 | 0.46 |
| ▸ | RAB9A | P51151 | 11/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.46 |
| ▸ | HPGD | P15428 | 9/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 8/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.46 |
| ▸ | SENP8 | Q96LD8 | 2/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.46 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.42 |
| ▸ | TP53 | P04637 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5218794 | 0.88 | NPC1 (0.48) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL14381085 | 0.81 | NPC1 (0.43) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5224725 | 0.80 | NPC1 (0.47) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5217281 | 0.78 | PTPN2 (0.43) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5217836 | 0.78 | ALDH1A1 (0.50) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5216455 | 0.77 | NPC1 (0.42) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5215816 | 0.77 | DYRK1B (0.41) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5215948 | 0.77 | NPC1 (0.45) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5217497 | 0.77 | SMN1; SMN2 (0.48) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL5218678 | 0.76 | PTPN2 (0.46) | NPC1RAB9AKDM4EHPGDSMN1; SMN2 |
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 9 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 |
| US-20140206675-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | MERCK SHARP & DOHME CORP. (US) | 2014-07-24 | — | — | US | disclosed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | US | disclosed |
| US-7569592-B2 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | MERCK & CO., INC. (US) | 2009-08-04 | — | — | 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 (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-20050026963-A1 | Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 | GRM5, GRIK5, GRIN2C | NPC1 4205/4885RAB9A 1352/4885KDM4E 2688/4885 |
| US-20140206675-A1 | IMINOTHIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE | BACE1, BACE2, APP | NPC1 595/4885RAB9A 1662/4885KDM4E 3754/4885 |
“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.