Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 8/20 | 0.51 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.50 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.50 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.42 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2303273 | 1.00 | PDPK1 (0.51) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL2303277 | 1.00 | PDPK1 (0.51) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL7486774 | 0.91 | ESR1 (0.44) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL29119393 | 0.86 | ALDH1A1 (0.50) | SMN1; SMN2HPGDESR1ESR2MEN1 | |
| SCHEMBL1381134 | 0.86 | HDAC1 (0.52) | HDAC1HDAC2CES2CES1HDAC3 | |
| SCHEMBL13290283 | 0.86 | HDAC1 (0.69) | HDAC1HDAC2CES2CES1HDAC3 | |
| SCHEMBL16721092 | 0.84 | PDPK1 (0.57) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL11323281 | 0.84 | PDPK1 (0.57) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL16721081 | 0.84 | PDPK1 (0.57) | PDPK1HDAC1HDAC2CES2CES1 | |
| SCHEMBL10350158 | 0.84 | ESR1 (0.56) | CES2MAPTSMN1; SMN2CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-20050065349-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | BUCHWALD STEPHEN L (US) | 2005-03-24 | — | — | US | disclosed |
| US-6787655-B2 | TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2004-09-07 | — | — | US | disclosed |
| US-20030125563-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2003-07-03 | — | — | US | disclosed |
| US-6465664-B1 | CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE | MASSACHUSETTS INSTITUTE OF TECHNOLOGY | 2002-10-15 | — | — | US | disclosed |
| WO-2001019761-A2 | ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2001-03-22 | — | — | WO | disclosed |
| CN-1005711-B | Preparation method of phenoxypropanolamine compounds | 弗·哈夫曼-拉罗彻公司 | 1989-11-08 | — | — | CN | disclosed |
| EP-0057444-B1 | DICHLOROAMINO ACID DERIVATIVES USEFUL AS POTENT GERMICIDAL AND FUNGICIDAL AGENTS | MERCK & CO. INC. (US) | 1986-05-07 | — | — | EP | disclosed |
| US-4386103-A | ENVIRONMENT, FOOD TREATMENT, PERSONAL OR VETERINARY HYGIENE | MERCK & CO., INC. (US) | 1983-05-31 | — | — | US | disclosed |
| EP-0057444-A2 | Dichloroamino acid derivatives useful as potent germicidal and fungicidal agents | MERCK & CO. INC. (US) | 1982-08-11 | — | — | 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 (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-20050065349-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | APEX1, AP2A1, ENPP1 | PDPK1 1459/4885HDAC1 999/4885HDAC2 1286/4885 |
| US-20030125563-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | APEX1, AP2A1, ENPP1 | PDPK1 1459/4885HDAC1 999/4885HDAC2 1286/4885 |
“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.