Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | HRH1 | P35367 | 6/20 | 0.44 |
| ▸ | AKT2 | P31751 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7094583 | 0.96 | HRH1 (0.50) | CYP2A6HRH1AKT2MAOAHTR2A | |
| SCHEMBL7012853 | 0.83 | CYP2A6 (0.37) | CYP2A6HRH1AKT2HRH3CYP1A2 | |
| SCHEMBL6562985 | 0.83 | HRH1 (0.48) | CYP2A6HRH1HTR2AHRH3CYP1A2 | |
| SCHEMBL7001028 | 0.81 | HTR2A (0.52) | HRH1HTR2AHRH3CYP1A2CYP2D6 | |
| SCHEMBL17184407 | 0.79 | CYP2A6 (0.50) | CYP2A6HRH1AKT2MAOAHTR2A | |
| SCHEMBL24268669 | 0.78 | HRH1 (0.43) | CYP2A6HRH1AKT2HRH3HRH4 | |
| SCHEMBL3631933 | 0.78 | DAO (0.44) | CYP2A6HRH1HTR2AHRH3HRH4 | |
| SCHEMBL5712637 | 0.78 | RAB9A (0.53) | HTR2AHRH3CYP1A2KDM4EMEN1 | |
| SCHEMBL8196044 | 0.78 | CYP2A6 (0.48) | CYP2A6AKT2KDM4EALDH1A1MAPT | |
| SCHEMBL29745082 | 0.78 | CYP2A6 (0.48) | CYP2A6HRH1AKT2MAOAHTR2A |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6914144-B2 | Process for preparing integrin antagonist intermediate | MERCK & CO., INC. (US) | 2005-07-05 | — | — | US | disclosed |
| US-6914144-B2 | Process for preparing integrin antagonist intermediate | MERCK & CO., INC. (US) | 2005-07-05 | — | — | US | disclosed |
| US-6706885-B2 | HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES | MERCK & CO., INC. | 2004-03-16 | — | — | US | disclosed |
| US-6706885-B2 | HYDROGENATION OF PROTECTED 2,5-DI-(3'-AMINOPROP-1-YNYL) PYRIDINES AND DEPROTECTING TO FORM 2,5-DI-(3'-AMINOPROPYL)-PYRIDINES | MERCK & CO., INC. | 2004-03-16 | — | — | US | disclosed |
| US-20030176707-A1 | Process for preparing integrin antagonist intermediate | MERCK & CO., INC. | 2003-09-18 | — | — | US | disclosed |
| US-20030176707-A1 | Process for preparing integrin antagonist intermediate | MERCK & CO., INC. | 2003-09-18 | — | — | US | disclosed |
| WO-2003064390-A1 | PROCESS FOR PREPARING INTEGRIN ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2003-08-07 | — | — | WO | disclosed |
| WO-2003064390-A1 | PROCESS FOR PREPARING INTEGRIN ANTAGONIST INTERMEDIATE | MERCK & CO., INC. (US) | 2003-08-07 | — | — | WO | disclosed |
| US-20030004353-A1 | Process for preparing integrin antagonist intermediates | MERCK SHARP & DOHME CORP. | 2003-01-02 | — | — | US | disclosed |
| US-20030004353-A1 | Process for preparing integrin antagonist intermediates | MERCK SHARP & DOHME CORP. | 2003-01-02 | — | — | US | disclosed |
| US-6262268-B1 | REACTING 2,5-DI(3-PROPYLAMINO)PYRIDINE WITH BASE IN SOLVENT TO FORM 3-(5,6,7,8-TETRAHYDRO-(1,8)-NAPHTHYRIDIN-2-YL)-PROPYLAMINE AND ISOLATING PRODUCT | MERCK & CO., INC. | 2001-07-17 | — | — | 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 (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-20030176707-A1 | Process for preparing integrin antagonist intermediate | ITGB3, ITGA2B, ITGA5 | CYP2A6 2072/4885HRH1 1155/4885AKT2 1747/4885 |
| US-20030004353-A1 | Process for preparing integrin antagonist intermediates | ITGA5, ITGAV, ITGA2 | CYP2A6 1881/4885HRH1 1298/4885AKT2 1745/4885 |
“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.