Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | CCR5 | P51681 | 8/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.35 |
| ▸ | CCR8 | P51685 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | NOS3 | P29474 | 2/20 | 0.34 |
| ▸ | NOS2 | P35228 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.34 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.33 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TYK2 | P29597 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.32 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL3283632 | 0.98 | ITGB1 (0.36) | ITGB1ITGA4CCR5CCR1CCR8 | |
| SCHEMBL30674019 | 0.86 | ALDH1A1 (0.48) | ITGB1ITGA4CCR5ALDH1A1P2RX7 | |
| SCHEMBL26941587 | 0.86 | ALDH1A1 (0.48) | ITGB1ITGA4CCR5ALDH1A1P2RX7 | |
| SCHEMBL10561174 | 0.82 | ALDH1A1 (0.39) | CCR5CCR1CCR8ALDH1A1NOS3 | |
| SCHEMBL6628045 | 0.81 | CSNK1A1 (0.38) | ITGB1ITGA4CCR5CCR1CCR8 | |
| SCHEMBL31662998 | 0.81 | CSNK1A1 (0.38) | ITGB1ITGA4CCR5CCR1CCR8 | |
| SCHEMBL353204 | 0.81 | KDM4E (0.40) | ITGB1ITGA4CCR5CCR1CCR8 | |
| SCHEMBL1260587 | 0.80 | ALDH1A1 (0.33) | CCR5CCR1CCR8ALDH1A1NOS3 | |
| Hydrochloric Acid SCHEMBL4249059 | 0.79 | KDM4E (0.39) | ITGB1ITGA4CCR5CCR1CCR8 | |
| SCHEMBL9504653 | 0.79 | KDM4E (0.39) | ITGB1ITGA4CCR5CCR1CCR8 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111454203-A | Synthetic method of 2-chloro-N, N-dimethylnicotinamide | 山东京博生物科技有限公司 | 2020-07-28 | — | — | CN | disclosed |
| US-20120065397-A1 | PREPARATION OF KETONE AMIDES | Scherimg Corporation (US) | 2012-03-15 | — | — | US | disclosed |
| US-20120065397-A1 | PREPARATION OF KETONE AMIDES | Scherimg Corporation (US) | 2012-03-15 | — | — | US | disclosed |
| US-7759487-B2 | Preparation of ketone amides | SCHERING CORPORATION (US) | 2010-07-20 | — | — | US | disclosed |
| US-7759487-B2 | Preparation of ketone amides | SCHERING CORPORATION (US) | 2010-07-20 | — | — | US | disclosed |
| US-7714018-B2 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (US) | 2010-05-11 | — | — | US | disclosed |
| US-20100029939-A1 | PREPARATION OF KETONE AMIDES | SCHERING CORPORATION | 2010-02-04 | — | — | US | disclosed |
| US-20100029939-A1 | PREPARATION OF KETONE AMIDES | SCHERING CORPORATION | 2010-02-04 | — | — | US | disclosed |
| EP-1761542-B1 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | HOFFMANN LA ROCHE (CH) | 2008-01-02 | — | — | EP | disclosed |
| CN-101001860-A | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC (CH) | 2007-07-18 | — | — | CN | disclosed |
| US-20070117859-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2007-05-24 | — | — | US | disclosed |
| EP-1761542-A2 | OCTAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AN THEIR USE AS ANTIVIRAL AGENTS | F.HOFFMANN-LA ROCHE AG (CH) | 2007-03-14 | — | — | EP | disclosed |
| US-7164019-B2 | Such as cyclopentanecarboxylic acid {(S)-1-phenyl-3-[5-(pyridine-3-carbonyl)-hexahydro-pyrrolo[3,4-c]pyrrol-2-yl]-propyl}-amide; antagonists of chemokine receptors, useful for treating/preventing human immunodeficiency virus infection, AIDS or ARC | ROCHE PALO ALTO LLC (US) | 2007-01-16 | — | — | US | disclosed |
| US-20060014767-A1 | Heterocyclic antiviral compounds | ROCHE PALO ALTO LLC | 2006-01-19 | — | — | US | disclosed |
| WO-2005121145-A2 | OCTAHYDRO-PYRROLO[3,4-C] DERIVATIVES AND THEIR USE AS ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2005-12-22 | — | — | WO | 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 (4 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-20100029939-A1 | PREPARATION OF KETONE AMIDES | CCR5, CCR2, ACKR3 | ITGB1 1838/4885ITGA4 1111/4885CCR5 1/4885 |
| US-20060014767-A1 | Heterocyclic antiviral compounds | CCR5, ACKR3, CXCR1 | ITGB1 1323/4885ITGA4 2337/4885CCR5 1/4885 |
| US-20120065397-A1 | PREPARATION OF KETONE AMIDES | CCR5, CCR2, ACKR3 | ITGB1 1838/4885ITGA4 1111/4885CCR5 1/4885 |
| US-20070117859-A1 | Heterocyclic antiviral compounds | CCR5, ACKR3, CXCR1 | ITGB1 1323/4885ITGA4 2337/4885CCR5 1/4885 |
“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.