Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.59 |
| ▸ | RAB9A | P51151 | 2/20 | 0.59 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | MGLL | Q99685 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 1/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 1/20 | 0.44 |
| ▸ | PLAU | P00749 | 1/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10062905 | 0.85 | MGLL (0.56) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL395837 | 0.85 | NPC1 (0.52) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL6558433 | 0.85 | NPC1 (0.52) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL473173 | 0.81 | MGLL (0.53) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL10062939 | 0.80 | ROCK2 (0.66) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL15116265 | 0.79 | NPC1 (0.46) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL473221 | 0.79 | NPC1 (0.61) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL7274760 | 0.77 | NPC1 (0.55) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL4416727 | 0.76 | NPC1 (0.62) | NPC1RAB9AROCK2MAOBCASP3 | |
| SCHEMBL3039421 | 0.76 | NPC1 (0.66) | NPC1RAB9AMAOBCASP3MGLL |
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 |
|---|---|---|---|---|---|---|---|
| EP-2412707-A2 | 3-[2-(3-Amino-2-oxo-2H-pyridin-1-yl)-acetylamino]-4-oxo-pentanoic acid derivatives and their use as caspase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2012-02-01 | — | — | EP | disclosed |
| US-7960415-B2 | Caspase inhibitors and uses thereof | Vertex Pharmaceutical Incoporated (US) | 2011-06-14 | — | — | US | disclosed |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED | 2009-04-09 | — | — | US | disclosed |
| US-20040242494-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2004-12-02 | — | — | 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-20040242494-A1 | Caspase inhibitors and uses thereof | CASP1, CASP5, CASP3 | NPC1 539/4885RAB9A 1753/4885ROCK2 1162/4885 |
| US-20090093416-A1 | CASPASE INHIBITORS AND USES THEREOF | CASP1, CASP5, CASP3 | NPC1 795/4885RAB9A 2224/4885ROCK2 1825/4885 |
“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.