Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DDR1 | Q08345 | 2/20 | 0.43 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.37 |
| ▸ | G6PD | P11413 | 1/20 | 0.37 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | RORA | P35398 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | RORB | Q92753 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 1/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | KARS1 | Q15046 | 1/20 | 0.35 |
| ▸ | PDE4A | P27815 | 2/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.34 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL79121 | 1.00 | DDR1 (0.43) | DDR1DPP7G6PDTLR9PPARG | |
| SCHEMBL30662508 | 0.83 | DDR1 (0.41) | DDR1DPP7G6PDTLR9RORA | |
| SCHEMBL81038 | 0.81 | CASP1 (0.46) | — | |
| SCHEMBL81040 | 0.81 | CASP1 (0.46) | — | |
| SCHEMBL81039 | 0.81 | CASP1 (0.46) | — | |
| SCHEMBL78681 | 0.81 | KDM4E (0.45) | DDR1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL78682 | 0.81 | KDM4E (0.45) | DDR1CYP1A2CYP2C9CYP2C19MEN1 | |
| SCHEMBL78206 | 0.79 | TNF (0.43) | PPARGAKR1B1POLB | |
| SCHEMBL78207 | 0.79 | TNF (0.43) | PPARGAKR1B1POLB | |
| SCHEMBL79137 | 0.79 | EGFR (0.42) | POLBSMN1; SMN2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129381-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-12 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| EP-1539701-A1 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2005-06-15 | — | — | EP | disclosed |
| US-20040072850-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-04-15 | — | — | US | disclosed |
| WO-2004002961-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-01-08 | — | — | 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-20040072850-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP2 | DDR1 2263/4885DPP7 132/4885G6PD 476/4885 |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | DDR1 2574/4885DPP7 122/4885G6PD 565/4885 |
“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.