Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 3/20 | 0.43 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | TOP2A | P11388 | 3/20 | 0.39 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11784147 | 0.77 | FBP1 (0.57) | APPGSK3BNPC1RAB9AKDM4E | |
| SCHEMBL10348535 | 0.74 | GSK3B (0.79) | GSK3BTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL11485968 | 0.74 | ALDH1A1 (0.46) | TAS1R3TAS1R1ALDH1A1MAPTKMT2A | |
| SCHEMBL10348536 | 0.74 | GSK3B (0.79) | GSK3BTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL11453495 | 0.72 | ALDH1A1 (0.58) | GSK3BNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL11547026 | 0.72 | RAB9A (0.57) | GSK3BNPC1RAB9AKDM4EALDH1A1 | |
| SCHEMBL28533768 | 0.71 | MAOB (0.56) | APPTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL28533767 | 0.71 | MAOB (0.56) | APPTAS1R3TAS1R1NPC1RAB9A | |
| SCHEMBL8467685 | 0.71 | AKR1B1 (0.71) | GSK3BBACE1MAOBTOP2A | |
| SCHEMBL11541367 | 0.71 | MEN1 (0.47) | KDM4EALDH1A1MAOBMAPTKMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-3968117-A | CARDIOVASCULAR | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | disclosed |
| US-3959296-A | CARDIOVASCULAR AGENTS | BAYER AKTIENGESELLSCHAFT (DT) | 1976-05-25 | — | — | US | disclosed |