Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.42 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.41 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.41 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30834996 | 0.94 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL19830901 | 0.94 | NPC1 (0.41) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL19831080 | 0.86 | MEN1 (0.46) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL30835061 | 0.86 | MEN1 (0.46) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL19830913 | 0.85 | KDM4E (0.41) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL30835021 | 0.85 | KDM4E (0.41) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL30835083 | 0.82 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL19830926 | 0.82 | NPC1 (0.44) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL19830923 | 0.81 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2ACYP3A4 | |
| SCHEMBL30835065 | 0.81 | NPC1 (0.48) | NPC1RAB9AMEN1KMT2ACYP3A4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112961102-B | Metal complex and electron transport material using the same | 大电株式会社 | 2024-03-12 | — | — | CN | disclosed |