Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MPI | P34949 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6837318 | 0.84 | ALDH1A1 (0.47) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL6837211 | 0.83 | ADORA1 (0.42) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL369225 | 0.80 | MAPT (0.45) | AADATMAPTALDH1A1ACHELMNA | |
| SCHEMBL371000 | 0.79 | KDM4E (0.45) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL369405 | 0.79 | GRM4 (0.40) | AADATMAPTALDH1A1KDM4EACHE | |
| SCHEMBL368608 | 0.78 | ADORA1 (0.40) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL6837465 | 0.78 | AADAT (0.39) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL367046 | 0.78 | KDM4E (0.46) | AADATADORA1MAPTALDH1A1KDM4E | |
| SCHEMBL29191609 | 0.77 | AADAT (0.51) | AADATALDH1A1LMNAHPGDMEN1 | |
| SCHEMBL29191592 | 0.77 | AADAT (0.51) | AADATALDH1A1LMNAHPGDMEN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | MERCK SHARP & DOHME CORP. | 2013-09-26 | — | — | 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 (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-20130252944-A1 | NOVEL FUSED PYRAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS | GRM4, GRM1, GRM3 | AADAT 837/4885ADORA1 152/4885MAPT 1266/4885 |
“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.