Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 6/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | PDK4 | Q16654 | 5/20 | 0.40 |
| ▸ | PDK1 | Q15118 | 4/20 | 0.40 |
| ▸ | PDK3 | Q15120 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 4/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1805264 | 0.82 | CES2 (0.50) | PDK2MYCPTPN1PDK4CES2 | |
| SCHEMBL3488897 | 0.80 | ALDH1A1 (0.62) | MYCCYP2C9CES2ALDH1A1MEN1 | |
| SCHEMBL5321641 | 0.80 | MAP2K1 (0.39) | PDK2HSP90AA1PTPN1ALDH1A1MEN1 | |
| SCHEMBL7452353 | 0.80 | KMT2A (0.44) | CES2ALDH1A1MEN1KMT2ASMN1; SMN2 | |
| SCHEMBL5065113 | 0.79 | PDK2 (0.47) | PDK2HSP90AA1PDK4PDK1PDK3 | |
| SCHEMBL4580679 | 0.79 | L3MBTL1 (0.59) | PDK2HSP90AA1PDK4PDK1PDK3 | |
| SCHEMBL11576641 | 0.79 | PDK2 (0.68) | PDK2HSP90AA1PDK4PDK1PDK3 | |
| SCHEMBL5317968 | 0.77 | ALDH1A1 (0.37) | ALDH1A1MEN1KMT2ASMN1; SMN2NPC1 | |
| SCHEMBL24941116 | 0.77 | PDK2 (0.45) | PDK2HSP90AA1MYCPTPN1PDK4 | |
| SCHEMBL6880901 | 0.77 | PDK2 (0.53) | PDK2HSP90AA1PDK4PDK1PDK3 |
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-7432392-B2 | Ester derivatives and medical use thereof | JAPAN TOBACCO INC. (JP) | 2008-10-07 | — | — | US | disclosed |
| US-20060205726-A1 | Ester derivatives and medical use thereof | JAPAN TOBACCO INC. (JP) | 2006-09-14 | — | — | US | disclosed |
| EP-1669345-A1 | ESTER DERIVATIVE AND MEDICINAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2006-06-14 | — | — | EP | 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-20060205726-A1 | Ester derivatives and medical use thereof | MTTP, LIPC, CETP | PDK2 1561/4885HSP90AA1 496/4885MYC 4658/4885 |
“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.