Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.49 |
| ▸ | CES1 | P23141 | 3/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CETP | P11597 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6363065 | 0.89 | CES2 (0.43) | CES2CES1KIF11LMNAALDH1A1 | |
| SCHEMBL5528317 | 0.82 | CYP2C19 (0.42) | CES2CES1KIF11KMT2A | |
| SCHEMBL5936396 | 0.80 | GMNN (0.51) | CES2CES1KIF11ALDH1A1NPSR1 | |
| SCHEMBL2640406 | 0.76 | CES2 (0.45) | CES2CES1EPHX2KIF11MEN1 | |
| SCHEMBL929816 | 0.76 | KIF11 (0.41) | KIF11 | |
| SCHEMBL8188401 | 0.75 | CHRM2 (0.47) | MEN1KMT2ALMNAALDH1A1NPSR1 | |
| SCHEMBL6507709 | 0.74 | KIF11 (0.47) | KIF11 | |
| Octanoic Acid SCHEMBL28930532 | 0.72 | GPR84 (0.59) | CES2CES1MEN1KMT2AALDH1A1 | |
| Triphenylmethanamine SCHEMBL3607595 | 0.72 | AKR1B1 (0.55) | CES2CES1MEN1KMT2AALDH1A1 | |
| SCHEMBL29060487 | 0.71 | CES2 (0.54) | CES2CES1EPHX2MEN1KMT2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198218-B2 | Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2012-06-12 | — | — | US | disclosed |
| US-20100022499-A1 | HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM | 2010-01-28 | — | — | US | disclosed |
| US-20050266496-A1 | Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2005-12-01 | — | — | US | disclosed |
| US-20030144260-A1 | Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) | 2003-07-31 | — | — | 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 (3 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-20030144260-A1 | Heterocyclic compounds, method of developing new drug leads and combinatorial libraries used in such method | AADAC, ABCG2, HDAC3 | CES2 386/4885CES1 1020/4885EPHX2 1299/4885 |
| US-20100022499-A1 | HETEROCYCLIC COMPOUNDS, COMBINATORIAL LIBRARIES THEREOF AND METHODS OF SELECTING DRUG LEADS | AADAC, ABCG2, RICTOR | CES2 696/4885CES1 1334/4885EPHX2 580/4885 |
| US-20050266496-A1 | Heterocyclic compounds, combinatorial libraries thereof and methods of selecting drug leads | AADAC, ABCG2, RICTOR | CES2 696/4885CES1 1334/4885EPHX2 580/4885 |
“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.