Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | MAOB | P27338 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | ITGAL | P20701 | 3/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | HPGD | P15428 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ITGB2 | P05107 | 2/20 | 0.51 |
| ▸ | ICAM1 | P05362 | 2/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | CCR2 | P41597 | 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 | |
|---|---|---|---|---|
| SCHEMBL6497928 | 0.83 | CAPN1 (0.48) | NPC1RAB9AMAOBPOLBITGAL | |
| SCHEMBL6497923 | 0.83 | CAPN1 (0.48) | NPC1RAB9AMAOBPOLBITGAL | |
| SCHEMBL6499373 | 0.81 | CAPN1 (0.48) | NPC1RAB9AMAOBPOLBITGAL | |
| SCHEMBL6499376 | 0.81 | CAPN1 (0.48) | NPC1RAB9AMAOBPOLBITGAL | |
| SCHEMBL6500054 | 0.79 | CAPN1 (0.50) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL6500056 | 0.79 | CAPN1 (0.50) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL6499222 | 0.79 | CAPN1 (0.50) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL6499227 | 0.79 | CAPN1 (0.50) | NPC1RAB9AKDM4EHPGDALDH1A1 | |
| SCHEMBL6495765 | 0.79 | CAPN1 (0.47) | NPC1RAB9AMAOBITGALHPGD | |
| SCHEMBL6495756 | 0.79 | CAPN1 (0.47) | NPC1RAB9AMAOBITGALHPGD |
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 |