Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CTSK | P43235 | 3/20 | 0.47 |
| ▸ | CTSB | P07858 | 1/20 | 0.47 |
| ▸ | CTSS | P25774 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | GFER | P55789 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.45 |
| ▸ | PREP | P48147 | 1/20 | 0.45 |
| ▸ | CMA1 | P23946 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KLK7 | P49862 | 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 | |
|---|---|---|---|---|
| SCHEMBL5496996 | 1.00 | CTRB1 (0.52) | CTRB1KMT2ACTSKCTSBCTSS | |
| SCHEMBL7167010 | 0.86 | CTRB1 (0.53) | CTRB1KMT2ACTSKCTSBCTSS | |
| SCHEMBL7167015 | 0.86 | CTRB1 (0.53) | CTRB1KMT2ACTSKCTSBCTSS | |
| SCHEMBL993938 | 0.84 | TSHR (0.56) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL8289059 | 0.84 | TSHR (0.56) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL12950181 | 0.82 | CTRB1 (0.61) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL992994 | 0.82 | CTRB1 (0.64) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL8287761 | 0.82 | CTRB1 (0.64) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL994089 | 0.81 | CTRB1 (0.58) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL8287700 | 0.81 | CTRB1 (0.58) | CTRB1KMT2ACTSKNPSR1TSHR |
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-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 | CTRB1 671/4885KMT2A 4582/4885CTSK 172/4885 |
| US-20070010457-A1 | Caspase inhibitors and uses thereof | CASP1, APAF1, TNF | CTRB1 807/4885KMT2A 4426/4885CTSK 112/4885 |
“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.