Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ1 | P51787 | 2/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.40 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.40 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.40 |
| ▸ | CPT1A | P50416 | 6/20 | 0.39 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.38 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CPT2 | P23786 | 2/20 | 0.37 |
| ▸ | CPT1B | Q92523 | 1/20 | 0.37 |
| ▸ | CMA1 | P23946 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5498362 | 1.00 | KCNQ1 (0.41) | KCNQ1PIN1ACKR3KLK5CPT1A | |
| SCHEMBL5496918 | 0.88 | PIN1 (0.41) | KCNQ1PIN1ACKR3CPT1ATRPC3 | |
| SCHEMBL5496923 | 0.88 | PIN1 (0.41) | KCNQ1PIN1ACKR3CPT1ATRPC3 | |
| SCHEMBL6617601 | 0.81 | TRPC3 (0.41) | KCNQ1PIN1ACKR3TRPC3TRPC6 | |
| SCHEMBL5496996 | 0.80 | CTRB1 (0.52) | KLK5CMA1 | |
| SCHEMBL5496992 | 0.80 | CTRB1 (0.52) | KLK5CMA1 | |
| SCHEMBL5500750 | 0.79 | HCRTR1 (0.42) | KCNQ1KLK5CNR2CMA1 | |
| SCHEMBL5500752 | 0.79 | HCRTR1 (0.42) | KCNQ1KLK5CNR2CMA1 | |
| SCHEMBL5491367 | 0.78 | PIN1 (0.46) | KCNQ1PIN1ACKR3CPT1ATRPC3 | |
| SCHEMBL3579231 | 0.78 | PIN1 (0.46) | KCNQ1PIN1ACKR3CPT1ATRPC3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| US-20030096737-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | 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-20030096737-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, CASP5 | KCNQ1 2759/4885PIN1 1083/4885ACKR3 1984/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | KCNQ1 2087/4885PIN1 1232/4885ACKR3 2072/4885 |
“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.