Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | FADS1 | O60427 | 1/20 | 0.42 |
| ▸ | GCK | P35557 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL79483 | 1.00 | ALDH1A1 (0.44) | ALDH1A1FNTAFNTBFADS1GCK | |
| SCHEMBL79760 | 0.84 | ALDH1A1 (0.56) | ALDH1A1MAPTGAAHPGDKMT2A | |
| SCHEMBL93019 | 0.83 | ALDH1A1 (0.44) | ALDH1A1FADS1GCKKDM4EPKM | |
| SCHEMBL27607555 | 0.82 | NOS2 (0.49) | ALDH1A1FADS1GCKNOS2 | |
| SCHEMBL27607557 | 0.82 | NOS2 (0.49) | ALDH1A1FADS1GCKNOS2 | |
| SCHEMBL4547811 | 0.76 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4EGAANPSR1 | |
| SCHEMBL13761455 | 0.76 | FADS1 (0.55) | ALDH1A1FADS1GCKKDM4EGAA | |
| SCHEMBL26605192 | 0.76 | FADS1 (0.52) | ALDH1A1FADS1GCKKDM4ENOS2 | |
| SCHEMBL79912 | 0.74 | ITGB1 (0.48) | MAPTHPGDNPSR1 | |
| SCHEMBL79913 | 0.74 | ITGB1 (0.48) | MAPTHPGDNPSR1 |
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 4 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 |
| 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 (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 862/4885FNTA 3246/4885FNTB 3567/4885 |
| US-20090281128-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | ALDH1A1 1366/4885FNTA 3011/4885FNTB 3557/4885 |
“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.