Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 9/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | TMPRSS15 | P98073 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6609413 | 0.85 | NPSR1 (0.58) | CES2LMNAPIN1 | |
| SCHEMBL6607173 | 0.85 | CASP3 (0.52) | CA2CA1CASP3NPC1 | |
| SCHEMBL6606162 | 0.85 | CASP3 (0.52) | CA2CA1CASP3CASP7CASP9 | |
| SCHEMBL6607828 | 0.84 | CASP3 (0.53) | CA2CA1CASP3LMNACASP7 | |
| SCHEMBL6610883 | 0.84 | HPGDS (0.53) | CA2CA1CASP3NPC1RAB9A | |
| SCHEMBL6607165 | 0.84 | CASP3 (0.52) | CA2CA1CASP3LMNA | |
| SCHEMBL6606242 | 0.81 | MEN1 (0.49) | CA2CA1CASP3 | |
| SCHEMBL6606122 | 0.81 | TAS1R3 (0.51) | CA2CA1CASP3CYP3A4 | |
| SCHEMBL6606153 | 0.80 | CA2 (0.44) | CA2CA1CASP3CASP7CASP9 | |
| SCHEMBL6609614 | 0.78 | GRN (0.56) | CA2CA1CASP3CYP1A2CYP2C9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1163208-B1 | CASPASE INHIBITORS AND USES THEREOF | VERTEX PHARMA (US) | 2004-05-12 | — | — | EP | disclosed |