Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | CTSS | P25774 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.42 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13632257 | 0.84 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2MAPTHTTCTSS | |
| SCHEMBL79483 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2AMAPK1GAA | |
| SCHEMBL78597 | 0.84 | ALDH1A1 (0.44) | ALDH1A1MAPTKMT2AMAPK1GAA | |
| SCHEMBL27626419 | 0.84 | ALDH1A1 (0.63) | ALDH1A1SMN1; SMN2MAPTHTTCTSS | |
| SCHEMBL1186175 | 0.77 | THRB (0.42) | ALDH1A1SMN1; SMN2MAPTHTTPOLB | |
| SCHEMBL1186362 | 0.76 | TDP1 (0.52) | ALDH1A1SMN1; SMN2MAPTKMT2AL3MBTL1 | |
| SCHEMBL13753358 | 0.73 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTHTTPOLB | |
| SCHEMBL31405649 | 0.73 | ALDH1A1 (0.68) | ALDH1A1SMN1; SMN2MAPTHTTPOLB | |
| SCHEMBL19554297 | 0.71 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2MAPTPOLBKMT2A | |
| SCHEMBL3537551 | 0.71 | ALDH1A1 (0.65) | ALDH1A1SMN1; SMN2MAPTPOLBKMT2A |
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 11 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-8129381-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-06 | — | — | US | disclosed |
| 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-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-11-12 | — | — | 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 |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | disclosed |
| US-7553852-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2009-06-30 | — | — | US | 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 | ALDH1A1 862/4885SMN1; SMN2 655/4885MAPT 2050/4885 |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | ALDH1A1 1366/4885SMN1; SMN2 788/4885MAPT 2048/4885 |
“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.