Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 2/20 | 0.50 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.49 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.49 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.49 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.46 |
| ▸ | TDP2 | O95551 | 1/20 | 0.45 |
| ▸ | RAF1 | P04049 | 1/20 | 0.45 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL7652545 | 0.81 | ADORA3 (0.49) | NPC1RAB9AADORA2BADORA2AHPGD | |
| SCHEMBL9259478 | 0.80 | NOTUM (0.50) | NR1H2NR1H3NPC1RAB9ATDP2 | |
| SCHEMBL7652494 | 0.80 | HPGD (0.45) | NR1H2NR1H3NPC1RAB9AADORA2B | |
| SCHEMBL7298467 | 0.78 | NR1H2 (0.48) | NR1H2NR1H3NPC1RAB9AKDM4C | |
| SCHEMBL7657325 | 0.77 | ADORA3 (0.54) | ADORA2BADORA2AMAPTALDH1A1 | |
| SCHEMBL7655306 | 0.77 | HPGD (0.53) | NR1H2NR1H3NPC1RAB9AADORA2A | |
| SCHEMBL7659194 | 0.77 | ALDH1A1 (0.51) | ADORA2BADORA2AHPGDMAPTKMT2A | |
| SCHEMBL11539560 | 0.76 | ADORA2B (0.58) | NR1H2NR1H3NPC1RAB9AADORA2B | |
| SCHEMBL9196239 | 0.75 | HSD11B1 (0.61) | NPC1RAB9AKMT2AALDH1A1HSD11B1 | |
| SCHEMBL7652394 | 0.75 | HSD11B1 (0.45) | ADORA2BADORA2AHPGDHSD11B1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492407-B2 | NEUROPROTECTIVE ACTIVITY | BOEHRINGER IMGELHEIM PHARMA KG (DE) | 2002-12-10 | — | — | US | disclosed |