Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CMA1 | P23946 | 1/20 | 0.49 |
| ▸ | CASP3 | P42574 | 3/20 | 0.49 |
| ▸ | CTSK | P43235 | 3/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | 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 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.46 |
| ▸ | PREP | P48147 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7167010 | 1.00 | CTRB1 (0.53) | CTRB1KMT2ACMA1CASP3CTSK | |
| SCHEMBL7206189 | 0.89 | CASP3 (0.61) | CTRB1KMT2ACASP3CTSKCTSB | |
| SCHEMBL5496992 | 0.86 | CTRB1 (0.52) | CTRB1KMT2ACMA1CTSKCTSB | |
| SCHEMBL5496996 | 0.86 | CTRB1 (0.52) | CTRB1KMT2ACMA1CTSKCTSB | |
| SCHEMBL992994 | 0.82 | CTRB1 (0.64) | CTRB1KMT2ACMA1CTSKNPSR1 | |
| SCHEMBL8287761 | 0.82 | CTRB1 (0.64) | CTRB1KMT2ACMA1CTSKNPSR1 | |
| SCHEMBL994089 | 0.82 | CTRB1 (0.58) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL8287700 | 0.82 | CTRB1 (0.58) | CTRB1KMT2ACTSKNPSR1TSHR | |
| SCHEMBL12569641 | 0.81 | GFER (0.53) | CTRB1KMT2ACASP3CTSKCTSB | |
| SCHEMBL630940 | 0.81 | CTRB1 (0.59) | CTRB1KMT2ACMA1CTSKCTSB |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1283827-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-02-19 | — | — | EP | disclosed |
| WO-2001090070-A2 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2001-11-29 | — | — | WO | disclosed |