Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | PGK1 | P00558 | 1/20 | 0.32 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | FBP1 | P09467 | 1/20 | 0.31 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 2/20 | 0.31 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7419628 | 0.91 | GRM5 (0.41) | GRM5CYP1A2PTPN11MEN1KMT2A | |
| SCHEMBL4861899 | 0.91 | GRM5 (0.47) | GRM5CYP1A2MEN1KMT2ATSHR | |
| SCHEMBL7388499 | 0.85 | GRM5 (0.39) | GRM5MEN1KMT2ATSHRHTT | |
| SCHEMBL7420330 | 0.84 | GRM5 (0.42) | GRM5CYP1A2MEN1KMT2ATSHR | |
| SCHEMBL28748970 | 0.74 | — | — | |
| SCHEMBL19778794 | 0.70 | — | — | |
| SCHEMBL16116343 | 0.70 | — | — | |
| SCHEMBL15870897 | 0.67 | GRM5 (0.60) | GRM5TSHRALDH1A1NOS1HSD17B10 | |
| SCHEMBL7419586 | 0.66 | GRM5 (0.41) | GRM5ACACB | |
| SCHEMBL13726266 | 0.65 | GRM5 (0.48) | GRM5TSHRALDH1A1NOS1HSD17B10 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130053382-A1 | Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) | PALIWAL SUNIL (US) | 2013-02-28 | — | — | US | disclosed |
| EP-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | 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-20130053382-A1 | Inhibitors of Phosphoinositide Dependent Kinase 1 (PDK1) | PDK1, PDPK1, PDK3 | GRM5 2798/4885CYP1A2 4706/4885PTPN11 787/4885 |
“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.