Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | PDE5A | O76074 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE1A | P54750 | 1/20 | 0.41 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 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 | |
|---|---|---|---|---|
| SCHEMBL4864061 | 0.86 | HTT (0.60) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL13457926 | 0.81 | HTT (0.56) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL9384037 | 0.81 | GPR3 (0.45) | HTTLMNAALDH1A1MAPTKDM4E | |
| SCHEMBL7663801 | 0.80 | NPSR1 (0.45) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL13911030 | 0.79 | HTT (0.54) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL13911024 | 0.79 | HTT (0.54) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL13911027 | 0.76 | HTT (0.50) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL580414 | 0.74 | MAPT (0.49) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL219856 | 0.74 | KDM4E (0.65) | HTTLMNAALDH1A1NPSR1MAPT | |
| SCHEMBL7664718 | 0.74 | NPSR1 (0.49) | HTTLMNAALDH1A1NPSR1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110551043-B | Novel compound and organic light-emitting element using same | 株式会社LG化学 | 2022-10-28 | — | — | CN | disclosed |
| CN-110551043-A | novel compound and organic light-emitting element using same | LG CHEMICAL LTD | 2019-12-10 | — | — | CN | disclosed |
| US-6486158-B1 | [4,5]-fused-3,6-disubstituted-pyridazines with sulfur-containing substituents in position three for the treatment of neoplasia | CELL PATHWAYS, INC. | 2002-11-26 | — | — | US | disclosed |