Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 5/20 | 0.46 |
| ▸ | CASP3 | P42574 | 4/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.42 |
| ▸ | CNR1 | P21554 | 1/20 | 0.42 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.42 |
| ▸ | HTR3B | O95264 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.42 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.42 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.41 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.41 |
| ▸ | TRPC3 | Q13507 | 1/20 | 0.40 |
| ▸ | TRPC6 | Q9Y210 | 1/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.39 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.39 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | CPT1A | P50416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5491367 | 1.00 | PIN1 (0.46) | PIN1CASP3CNR2CNR1HTR3E | |
| SCHEMBL5491375 | 1.00 | PIN1 (0.46) | PIN1CASP3CNR2CNR1HTR3E | |
| SCHEMBL5489939 | 0.90 | ALDH1A1 (0.47) | PIN1CASP3CNR2CNR1KCNQ1 | |
| SCHEMBL5489938 | 0.90 | ALDH1A1 (0.47) | PIN1CASP3CNR2CNR1KCNQ1 | |
| SCHEMBL5496918 | 0.89 | PIN1 (0.41) | PIN1CNR2CNR1ACKR3KCNQ1 | |
| SCHEMBL5496923 | 0.89 | PIN1 (0.41) | PIN1CNR2CNR1ACKR3KCNQ1 | |
| SCHEMBL5496287 | 0.85 | CASP3 (0.44) | CASP3KCNQ1 | |
| SCHEMBL5496284 | 0.85 | CASP3 (0.44) | CASP3KCNQ1 | |
| SCHEMBL5499721 | 0.82 | CASP3 (0.48) | CASP3CNR2KCNQ1 | |
| SCHEMBL5499724 | 0.82 | CASP3 (0.48) | CASP3CNR2KCNQ1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| EP-1381602-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-01-21 | — | — | EP | disclosed |
| US-20030096737-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | US | disclosed |
| WO-2002085899-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-31 | — | — | 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 (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 | PIN1 1083/4885CASP3 9/4885CNR2 4833/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | PIN1 1232/4885CASP3 8/4885CNR2 4794/4885 |
“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.