Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.43 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.43 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.43 |
| ▸ | CTSA | P10619 | 1/20 | 0.43 |
| ▸ | APAF1 | O14727 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.41 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.41 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | ACLY | P53396 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL381854 | 0.83 | HTT (0.50) | CTSASMN1; SMN2PDE4APDE4BPDE4C | |
| SCHEMBL28368458 | 0.80 | CTSA (0.49) | DHFRCTSARECQL | |
| SCHEMBL30541339 | 0.80 | CTSA (0.49) | DHFRCTSARECQL | |
| SCHEMBL28487773 | 0.79 | DHFR (0.46) | KDM4EMEN1KMT2AALDH1A1DHFR | |
| SCHEMBL2299744 | 0.79 | PTGS2 (0.46) | KDM4EMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL20546453 | 0.78 | CTSA (0.59) | CTSA | |
| SCHEMBL20546455 | 0.78 | CTSA (0.59) | CTSA | |
| SCHEMBL11843420 | 0.75 | DHFR (0.43) | DHFRCTSA | |
| SCHEMBL11836749 | 0.75 | DHFR (0.43) | MAPTDHFRCTSANR1H4 | |
| SCHEMBL11839989 | 0.75 | BLM (0.45) | KDM4EMEN1KMT2ADHFRCTSA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |