Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.49 |
| ▸ | GALR3 | O60755 | 1/20 | 0.49 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CNR1 | P21554 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 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 | |
|---|---|---|---|---|
| SCHEMBL3575371 | 1.00 | HCRTR1 (0.51) | HCRTR1RAB9AGALR3NR2F2NPC1 | |
| SCHEMBL3570468 | 0.86 | HCRTR1 (0.49) | HCRTR1ALDH1A1PDE2A | |
| SCHEMBL3570473 | 0.86 | HCRTR1 (0.49) | HCRTR1ALDH1A1PDE2A | |
| SCHEMBL4919272 | 0.82 | HCRTR1 (0.52) | HCRTR1PDE2A | |
| SCHEMBL4919265 | 0.82 | HCRTR1 (0.52) | HCRTR1PDE2A | |
| SCHEMBL4916902 | 0.81 | HCRTR1 (0.52) | HCRTR1RAB9ANPC1CNR2PDE2A | |
| SCHEMBL4916897 | 0.81 | HCRTR1 (0.52) | HCRTR1RAB9ANPC1CNR2PDE2A | |
| SCHEMBL15064844 | 0.79 | HCRTR1 (0.58) | HCRTR1KMT2ACNR2PDE2A | |
| SCHEMBL1921996 | 0.77 | NPC1 (0.49) | RAB9AGALR3NR2F2NPC1KMT2A | |
| SCHEMBL10724171 | 0.77 | CNR1 (0.53) | RAB9ANPC1KMT2AALOX5CNR2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| US-7807659-B2 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-10-05 | — | — | US | disclosed |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2007-01-11 | — | — | US | disclosed |
| EP-1381602-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | Vertex Pharmaceuticals Incorporated (US) | 2004-01-21 | — | — | EP | disclosed |
| US-20030096737-A1 | Caspase inhibitors and uses thereof | VERTEX PHARMACEUTICALS INCORPORATED | 2003-05-22 | — | — | US | disclosed |
| WO-2002085899-A1 | HETEROCYCLYLDICARBAMIDES AS CASPASE INHIBITORS | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2002-10-31 | — | — | 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-20030096737-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, CASP5 | HCRTR1 4092/4885RAB9A 2385/4885GALR3 4484/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | HCRTR1 4090/4885RAB9A 1756/4885GALR3 4335/4885 |
“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.