Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB1 | P05556 | 8/20 | 0.41 |
| ▸ | ITGA4 | P13612 | 8/20 | 0.41 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.41 |
| ▸ | BCL2 | P10415 | 3/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 1/20 | 0.38 |
| ▸ | CTSC | P53634 | 2/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TACR2 | P21452 | 1/20 | 0.35 |
| ▸ | LGMN | Q99538 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2892834 | 1.00 | ITGB1 (0.41) | ITGB1ITGA4ITGB7BCL2CTSS | |
| SCHEMBL16478311 | 0.92 | ITGB1 (0.42) | ITGB1ITGA4ITGB7BCL2CTSS | |
| SCHEMBL16478312 | 0.92 | ITGB1 (0.42) | ITGB1ITGA4ITGB7BCL2CTSS | |
| SCHEMBL300141 | 0.91 | ITGB1 (0.42) | ITGB1ITGA4ITGB7BCL2CTSS | |
| SCHEMBL300140 | 0.91 | ITGB1 (0.42) | ITGB1ITGA4ITGB7BCL2CTSS | |
| SCHEMBL7873527 | 0.88 | ALDH1A1 (0.44) | ITGB1ITGA4ITGB7TACR2 | |
| SCHEMBL7873388 | 0.88 | ITGB1 (0.41) | ITGB1ITGA4ITGB7BCL2CTSC | |
| SCHEMBL299559 | 0.88 | CTSS (0.45) | ITGB1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL299560 | 0.88 | CTSS (0.45) | ITGB1ITGA4ITGB7CTSSCTSK | |
| SCHEMBL298671 | 0.87 | ITGB1 (0.44) | ITGB1ITGA4ITGB7CTSCTACR2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120329775-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | FORD RHONAN (GB) | 2012-12-27 | — | — | US | disclosed |
| US-8193239-B2 | Substituted 1-cyanoethylheterocyclylcarboxamide compounds | ASTRAZENECA AB (SE) | 2012-06-05 | — | — | US | disclosed |
| US-8193239-B2 | Substituted 1-cyanoethylheterocyclylcarboxamide compounds | ASTRAZENECA AB (SE) | 2012-06-05 | — | — | US | disclosed |
| US-8193239-B2 | Substituted 1-cyanoethylheterocyclylcarboxamide compounds | ASTRAZENECA AB (SE) | 2012-06-05 | — | — | US | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |
| US-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | disclosed |
| US-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | US | disclosed |
| US-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | 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-20100286118-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 | ITGB1 2810/4885ITGA4 3092/4885ITGB7 2926/4885 |
| US-20120329775-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CNR2 | ITGB1 2810/4885ITGA4 3092/4885ITGB7 2926/4885 |
“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.