Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | REN | P00797 | 3/20 | 0.35 |
| ▸ | XIAP | P98170 | 1/20 | 0.34 |
| ▸ | ELANE | P08246 | 3/20 | 0.33 |
| ▸ | F2 | P00734 | 1/20 | 0.33 |
| ▸ | F10 | P00742 | 1/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.33 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | STAT3 | P40763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2604733 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2D6XIAPELANEPTGER4 | |
| SCHEMBL2604727 | 0.83 | CYP3A4 (0.43) | CYP3A4CYP2D6XIAPELANEPTGER4 | |
| SCHEMBL13528905 | 0.81 | CYP3A4 (0.39) | CYP3A4CYP2D6ELANEF2F10 | |
| SCHEMBL13528903 | 0.80 | F2 (0.42) | CYP3A4CYP2D6F2F10PLG | |
| SCHEMBL12304484 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP2D6RENF2ACE | |
| SCHEMBL12733449 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP2D6RENF2ACE | |
| SCHEMBL9911458 | 0.77 | CYP3A4 (0.50) | CYP3A4CYP2D6RENF2ACE | |
| SCHEMBL13397272 | 0.77 | LMNA (0.42) | — | |
| SCHEMBL12733399 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2D6RENXIAPELANE | |
| SCHEMBL2604731 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2D6RENXIAPELANE |
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-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-04-29 | — | — | US | disclosed |
| US-7652153-B2 | Use in controlling apoptosis, as antiinflammatory agents, in treating autoimmune disease, as antiischemic agents, in treating cardiovascular disorders; for example, (S,S)-3-[2-(3-Acetylamino-2-oxo-2H-pyridin-1-yl)-butyrylamino]-4-oxo-5-(2,3,5,6-tetrafluoro-phenoxy)-pentanoic acid | VERTEX PHARMACEUTICALS INCORPORATED | 2010-01-26 | — | — | 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 (1 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-20100105914-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | CYP3A4 171/4885CYP2D6 756/4885REN 1546/4885 |
“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.