Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | AADAT | Q8N5Z0 | 1/20 | 0.35 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.34 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 3/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL79731 | 1.00 | SLC6A2 (0.36) | SLC6A2SLC6A4SLC6A3KDM4EAADAT | |
| SCHEMBL78682 | 0.85 | KDM4E (0.45) | KDM4EP2RY2GAALMNAMAPK1 | |
| SCHEMBL78681 | 0.85 | KDM4E (0.45) | KDM4EP2RY2GAALMNAMAPK1 | |
| SCHEMBL6189209 | 0.81 | TNF (0.52) | TNFSTING1 | |
| SCHEMBL78206 | 0.80 | TNF (0.43) | KDM4ETNFPOLBL3MBTL1 | |
| SCHEMBL78207 | 0.80 | TNF (0.43) | KDM4ETNFPOLBL3MBTL1 | |
| SCHEMBL79137 | 0.77 | EGFR (0.42) | KDM4EPOLBL3MBTL1TP53 | |
| SCHEMBL79136 | 0.77 | EGFR (0.42) | KDM4EPOLBL3MBTL1TP53 | |
| SCHEMBL79121 | 0.76 | DDR1 (0.43) | POLBCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL79122 | 0.76 | DDR1 (0.43) | POLBCYP1A2CYP3A4CYP2C9CYP2C19 |
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 10 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-8071618-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-06 | — | — | US | disclosed |
| US-20100137359-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-06-03 | — | — | US | disclosed |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-12 | — | — | US | disclosed |
| US-7612091-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-03 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| EP-1581501-A1 | 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2005-10-05 | — | — | EP | disclosed |
| US-20040192612-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-09-30 | — | — | US | disclosed |
| WO-2004058718-A1 | 4-OXO-3-(1-OXO-1H-ISOQUINOLIN-2-YLACETYLAMINO)-PENTANOIC ACID ESTER AND AMIDE DERIVATIVES AND THEIR USE AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2004-07-15 | — | — | WO | disclosed |
| US-20040072850-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-04-15 | — | — | 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 (4 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-20100137359-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP3, CASP1, CASP5 | SLC6A2 2107/4885SLC6A4 2596/4885SLC6A3 815/4885 |
| US-20040072850-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP2 | SLC6A2 4855/4885SLC6A4 4831/4885SLC6A3 4843/4885 |
| US-20040192612-A1 | Caspase inhibitors and uses thereof | CASP1, CASP3, CASP5 | SLC6A2 2805/4885SLC6A4 3660/4885SLC6A3 1918/4885 |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | SLC6A2 4853/4885SLC6A4 4830/4885SLC6A3 4842/4885 |
“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.