Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.54 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.54 |
| ▸ | CNR2 | P34972 | 1/20 | 0.53 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | LOX | P28300 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579235 | 1.00 | NPC1 (0.57) | NPC1RAB9AKMT2AFKBP1APDK2 | |
| SCHEMBL1762519 | 0.96 | KMT2A (0.59) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL9871506 | 0.96 | KMT2A (0.59) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL24435015 | 0.96 | KMT2A (0.59) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL10721062 | 0.93 | KMT2A (0.60) | NPC1RAB9AKMT2AFKBP1APDK2 | |
| SCHEMBL7129231 | 0.90 | KMT2A (0.58) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL2769546 | 0.90 | KMT2A (0.62) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL7068414 | 0.90 | KMT2A (0.62) | NPC1RAB9AKMT2APDK2LOX | |
| SCHEMBL13709423 | 0.88 | PDK2 (0.56) | NPC1RAB9AKMT2APDK2HPGD | |
| SCHEMBL10724171 | 0.87 | CNR1 (0.53) | NPC1RAB9AKMT2AFKBP1APDK2 |
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 | NPC1 1305/4885RAB9A 2385/4885KMT2A 4582/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | NPC1 1540/4885RAB9A 1756/4885KMT2A 4426/4885 |
“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.