Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.49 |
| ▸ | PPID | Q08752 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL12949811 | 0.85 | RAB9A (0.50) | RAB9ASMN1; SMN2TSHRNPC1KMT2A | |
| SCHEMBL16281650 | 0.84 | RAB9A (0.53) | RAB9ASMN1; SMN2TSHRNPC1KMT2A | |
| SCHEMBL16281605 | 0.84 | P2RX7 (0.51) | RAB9APPIDSMN1; SMN2TSHRNPC1 | |
| SCHEMBL8288825 | 0.82 | SMN1; SMN2 (0.58) | SMN1; SMN2TSHRKMT2APOLBKDM4E | |
| SCHEMBL12949884 | 0.81 | POLB (0.50) | RAB9ASMN1; SMN2TSHRNPC1KMT2A | |
| SCHEMBL8289085 | 0.81 | RAB9A (0.53) | RAB9ASMN1; SMN2NPC1KMT2AMEN1 | |
| SCHEMBL13164062 | 0.80 | RAB9A (0.56) | RAB9ASMN1; SMN2TSHRNPC1ATM | |
| SCHEMBL12031723 | 0.79 | RAB9A (0.51) | RAB9ASMN1; SMN2TSHRNPC1KMT2A | |
| SCHEMBL8287708 | 0.79 | PREP (0.47) | — | |
| SCHEMBL15630971 | 0.79 | KEAP1 (0.49) | RAB9ASMN1; SMN2TSHRNPC1KMT2A |
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-1725548-B1 | PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF ASPARTIC ACETAL CASPASE INHIBITORS | VERTEX PHARMA (US) | 2015-01-14 | — | — | EP | disclosed |
| EP-2399916-A1 | Process and intermediates for the preparation of aspartic acetal caspase ihnhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2011-12-28 | — | — | EP | disclosed |