Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | MAOB | P27338 | 2/20 | 0.59 |
| ▸ | BCHE | P06276 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.45 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | PARP11 | Q9NR21 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL31392106 | 0.86 | CES1 (0.67) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL3638469 | 0.86 | CES1 (0.67) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL31070117 | 0.85 | — | — | |
| SCHEMBL569873 | 0.85 | — | — | |
| SCHEMBL8035811 | 0.85 | CES1 (0.73) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL29353311 | 0.83 | MAOA (0.74) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL1268680 | 0.83 | MAOA (0.74) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL24746 | 0.83 | MAOA (0.74) | CES1CYP2A6MAOAMAOBBCHE | |
| SCHEMBL31454252 | 0.81 | MAOA (0.71) | CES1CYP2A6MAOAMAOBBCHE | |
| Bromide SCHEMBL28903594 | 0.81 | MAOA (0.71) | CES1CYP2A6MAOAMAOBBCHE |
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-20170320815-A1 | ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS | UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. | 2017-11-09 | — | — | US | disclosed |
| US-7582667-B2 | Dihydrospiro[dibenzo[a,d][7]annulene-5,4′-imidazol] compounds for the inhibition of beta-secretase | WYETH (US) | 2009-09-01 | — | — | US | disclosed |
| US-20070203116-A1 | Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase | WYETH (US) | 2007-08-30 | — | — | US | disclosed |
| EP-0820450-B1 | N-substituted azaheterocyclic carboxylic acids and alkylesters thereof | NOVO NORDISK AS (DK) | 2001-09-12 | — | — | 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-20170320815-A1 | ALKYNES AND METHODS OF REACTING ALKYNES WITH 1,3-DIPOLE-FUNCTIONAL COMPOUNDS | ALG1, ST3GAL3, B3GNT2 | CES1 2397/4885CYP2A6 2372/4885MAOA 270/4885 |
| US-20070203116-A1 | Dihydrospiro[dibenzo[a,d][7]annulene-5,4'-imidazol] compounds for the inhibition of beta-secretase | BACE1, BACE2, APP | CES1 880/4885CYP2A6 4102/4885MAOA 658/4885 |
“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.