Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.38 |
| ▸ | CES1 | P23141 | 5/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CA4 | P22748 | 2/20 | 0.31 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.31 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 5/20 | 0.30 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.30 |
| ▸ | CASP1 | P29466 | 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 | |
|---|---|---|---|---|
| SCHEMBL16006488 | 0.76 | CES2 (0.43) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL1547507 | 0.75 | TUBB1 (0.42) | CES2CES1 | |
| SCHEMBL477698 | 0.74 | CES2 (0.68) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL28058282 | 0.72 | CES2 (0.43) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL28085635 | 0.71 | DGAT1 (0.45) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL829400 | 0.71 | DGAT1 (0.45) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL16649771 | 0.71 | CES2 (0.46) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL4514123 | 0.71 | DGAT1 (0.41) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL15994788 | 0.71 | DGAT1 (0.60) | CES2CES1DGAT1CA1CA2 | |
| SCHEMBL17761393 | 0.71 | MAP2K1 (0.46) | CES2CES1DGAT1CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9546165-B2 | Heterocyclic compounds useful as PDK1 inhibitors | SUNESIS PHARMACEUTICALS, INC. (US) | 2017-01-17 | — | — | US | disclosed |
| US-20120208819-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2012-08-16 | — | — | 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-20120208819-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS | PDK1, PDK2, PDK3 | CES2 3357/4885CES1 1238/4885DGAT1 1137/4885 |
“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.