Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 3/20 | 0.47 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.47 |
| ▸ | PTGER2 | P43116 | 3/20 | 0.47 |
| ▸ | BACE1 | P56817 | 6/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.44 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10986381 | 0.86 | NFE2L2 (0.53) | NPC1RAB9ANFE2L2BACE1ALDH1A1 | |
| SCHEMBL11739475 | 0.83 | BACE1 (0.62) | RAB9ANFE2L2PTGER4PTGER3PTGER2 | |
| SCHEMBL23425096 | 0.83 | LMNA (0.65) | NPC1RAB9APTGER4PTGER3PTGER2 | |
| SCHEMBL11739146 | 0.82 | NFE2L2 (0.44) | NPC1RAB9ANFE2L2PTGER4PTGER3 | |
| SCHEMBL11742859 | 0.81 | NFE2L2 (0.43) | NFE2L2PTGER4PTGER3PTGER2BACE1 | |
| SCHEMBL11546813 | 0.81 | NFE2L2 (0.51) | RAB9ANFE2L2PTGER4PTGER3PTGER2 | |
| SCHEMBL11404780 | 0.81 | NFE2L2 (0.48) | RAB9ANFE2L2BACE1ALDH1A1MAPK1 | |
| SCHEMBL11745118 | 0.81 | BACE1 (0.60) | RAB9ABACE1GSK3BALDH1A1L3MBTL1 | |
| SCHEMBL11741315 | 0.81 | BACE1 (0.62) | NPC1RAB9ABACE1ALDH1A1LMNA | |
| SCHEMBL11517790 | 0.81 | BACE1 (0.62) | NFE2L2BACE1GSK3BALDH1A1L3MBTL1 |
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-4621082-A | Pyridopyrimidines, pharmaceutical compositions and use | BAYER AKTIENGESELLSCHAFT (DE) | 1986-11-04 | — | — | US | disclosed |
| US-4565824-A | Certain nitratoalkyl ester dihydropyridines having antihypertensive properties | BAYER AKTIENGESELLSCHAFT (DE) | 1986-01-21 | — | — | US | disclosed |