Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | TLR4 | O00206 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 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 | |
|---|---|---|---|---|
| SCHEMBL2693722 | 1.00 | CYP1A2 (0.50) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL2691363 | 0.94 | CYP1A2 (0.58) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL22668960 | 0.92 | CYP1A2 (0.56) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL20822308 | 0.92 | CYP1A2 (0.56) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL20822215 | 0.92 | CYP1A2 (0.56) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL11860794 | 0.92 | CYP1A2 (0.56) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL6516575 | 0.88 | CYP1A2 (0.52) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL918157 | 0.88 | CYP1A2 (0.52) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL4864166 | 0.88 | CYP1A2 (0.52) | CYP1A2TLR4NOS1NOS2ALDH1A1 | |
| SCHEMBL6438527 | 0.87 | — | — |
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 |
| US-5134238-A | Chiral copper amine complexes | BRIGHAM YOUNG UNIVERSITY (US) | 1992-07-28 | — | — | US | disclosed |
| EP-0122019-B1 | A PROSTAGLANDIN ANALOGUE | ONO PHARMACEUTICAL CO., LTD. (JP) | 1987-06-24 | — | — | EP | disclosed |
| US-4562207-A | ANTISECRETORY, ANTIULCER, HYPOTENSIVE AGENTS AND ANTICOAGULANTS | ONO PHARMACEUTICAL CO., LTD. (JP) | 1985-12-31 | — | — | US | disclosed |
| EP-0122019-A2 | A prostaglandin analogue | ONO PHARMACEUTICAL CO., LTD. (JP) | 1984-10-17 | — | — | 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 | CYP1A2 1138/4885TLR4 3155/4885NOS1 3765/4885 |
| US-20030125563-A1 | Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems | APEX1, AP2A1, ENPP1 | CYP1A2 1138/4885TLR4 3155/4885NOS1 3765/4885 |
“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.