Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.53 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | ELANE | P08246 | 4/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 7/20 | 0.44 |
| ▸ | CASP7 | P55210 | 1/20 | 0.44 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL12273254 | 1.00 | NPC1 (0.53) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL27691482 | 0.90 | NPC1 (0.51) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL27691483 | 0.90 | NPC1 (0.51) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL473210 | 0.88 | ELANE (0.51) | NPC1RAB9AELANECASP3CASP1 | |
| SCHEMBL473208 | 0.88 | ELANE (0.51) | NPC1RAB9AELANECASP3CASP1 | |
| SCHEMBL952097 | 0.86 | NPC1 (0.55) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL23835788 | 0.86 | NPC1 (0.58) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL8312981 | 0.84 | ELANE (0.55) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL1039441 | 0.83 | NPC1 (0.54) | NPC1RAB9AELANEMAOBCASP3 | |
| SCHEMBL1039440 | 0.83 | NPC1 (0.54) | NPC1RAB9AELANEMAOBCASP3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101775012-A | Aspartic acid specific cysteine proteinase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPO | 2010-07-14 | — | — | CN | disclosed |
| CN-1812972-B | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPO | 2010-04-28 | — | — | CN | disclosed |
| US-20080070953-A1 | Inhibitors of interleukin-1 beta converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-03-20 | — | — | US | disclosed |
| CN-1812972-A | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPO (US) | 2006-08-02 | — | — | CN | 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 (1 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-20080070953-A1 | Inhibitors of interleukin-1 beta converting enzyme | IL1B, IL1A, IL1R1 | NPC1 655/4885RAB9A 2305/4885ELANE 140/4885 |
“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.