Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGA4 | P13612 | 2/20 | 0.47 |
| ▸ | ITGB7 | P26010 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29107632 | 0.88 | ALDH1A1 (0.51) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL29526198 | 0.88 | ALDH1A1 (0.51) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL29107678 | 0.82 | ALDH1A1 (0.53) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL1662078 | 0.80 | ITGA4 (0.46) | ITGA4ITGB7ALDH1A1 | |
| SCHEMBL311587 | 0.80 | ITGA4 (0.46) | ITGA4ITGB7ALDH1A1 | |
| SCHEMBL2061145 | 0.77 | NPC1 (0.54) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL11391576 | 0.75 | MEN1 (0.52) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL11394318 | 0.75 | MEN1 (0.52) | POLBCYP2C19MEN1KMT2AALDH1A1 | |
| SCHEMBL24185450 | 0.75 | ATM (0.45) | ITGA4ITGB7POLBCYP2C19MEN1 | |
| SCHEMBL5002689 | 0.74 | ALDH1A1 (0.58) | POLBCYP2C19MEN1KMT2AALDH1A1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8288537-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-10-16 | — | — | US | disclosed |
| US-20120077830-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-03-29 | — | — | US | disclosed |
| US-8093392-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-01-10 | — | — | US | disclosed |
| US-20110130436-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-06-02 | — | — | US | disclosed |
| EP-2308845-A2 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| EP-2308844-A2 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| EP-2308846-A2 | Caspase inhibitors and uses thereof | Vertex Pharmceuticals Incorporated (US) | 2011-04-13 | — | — | EP | disclosed |
| US-7906650-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-03-15 | — | — | US | disclosed |
| US-20090131456-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2009-05-21 | — | — | US | disclosed |
| US-7517987-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICAL INCORPORATED (US) | 2009-04-14 | — | — | US | disclosed |
| US-20030232846-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-12-18 | — | — | US | disclosed |
| EP-1244626-A2 | CASPASE INHIBITORS AND USES THEREOF | Vertex Pharmaceuticals Incorporated (US) | 2002-10-02 | — | — | EP | disclosed |
| WO-2001042216-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-06-14 | — | — | 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 (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-20090131456-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP3, CASP2 | ITGA4 4448/4885ITGB7 3793/4885POLB 3932/4885 |
| US-20120077830-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP3, CASP2 | ITGA4 4448/4885ITGB7 3793/4885POLB 3932/4885 |
| US-20110130436-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP3, CASP2 | ITGA4 4448/4885ITGB7 3793/4885POLB 3932/4885 |
| US-20030232846-A1 | Caspase inhibitors and uses thereof | CASP1, CASP3, CASP2 | ITGA4 4382/4885ITGB7 3375/4885POLB 4042/4885 |
“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.