Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.59 |
| ▸ | NPC1 | O15118 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | ITGB2 | P05107 | 5/20 | 0.55 |
| ▸ | ICAM1 | P05362 | 5/20 | 0.55 |
| ▸ | ITGAL | P20701 | 5/20 | 0.55 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6496998 | 1.00 | KDM4E (0.59) | KDM4ESMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6318331 | 0.85 | ITGAL (0.62) | KDM4ESMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6495883 | 0.85 | ITGAL (0.68) | SMN1; SMN2NPC1RAB9AITGB2ICAM1 | |
| SCHEMBL6495878 | 0.85 | ITGAL (0.68) | SMN1; SMN2NPC1RAB9AITGB2ICAM1 | |
| SCHEMBL8298709 | 0.85 | ITGAL (0.57) | KDM4ESMN1; SMN2NPC1RAB9AITGB2 | |
| SCHEMBL8298631 | 0.84 | ITGAL (0.56) | KDM4ESMN1; SMN2NPC1RAB9AITGB2 | |
| SCHEMBL6196469 | 0.84 | ITGAL (0.78) | KDM4ESMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6315913 | 0.83 | ITGAL (0.54) | KDM4ESMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6567825 | 0.83 | ITGAL (0.54) | KDM4ESMN1; SMN2NPC1RAB9AGAA | |
| SCHEMBL6199004 | 0.82 | ITGAL (0.77) | KDM4ESMN1; SMN2NPC1RAB9AGAA |
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 |