Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | TNKS | O95271 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29216870 | 0.86 | GPR3 (0.58) | GPR3ADORA2AHTTLMNAL3MBTL1 | |
| SCHEMBL29216859 | 0.86 | GPR3 (0.48) | GPR3ALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL30895365 | 0.86 | GPR3 (0.48) | GPR3ALDH1A1NPC1RAB9AMEN1 | |
| SCHEMBL14612005 | 0.84 | GPR3 (0.61) | GPR3ALDH1A1KDM4ECYP1A2NPC1 | |
| SCHEMBL30895366 | 0.84 | GPR3 (0.61) | GPR3ALDH1A1KDM4ECYP1A2NPC1 | |
| SCHEMBL30895367 | 0.84 | GPR3 (0.50) | GPR3ALDH1A1KDM4ECYP1A2NPC1 | |
| SCHEMBL29216867 | 0.84 | GPR3 (0.50) | GPR3ALDH1A1KDM4ECYP1A2NPC1 | |
| SCHEMBL29216866 | 0.82 | GPR3 (0.44) | GPR3ALDH1A1KDM4EADORA2ACYP1A1 | |
| SCHEMBL29216873 | 0.81 | GPR3 (0.47) | GPR3KDM4ENPC1RAB9ATNKS | |
| SCHEMBL29216863 | 0.81 | GPR3 (0.47) | GPR3ALDH1A1KDM4ETDP1NPC1 |
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-118084804-A | Preparation method of benzo [ c ] cinnoline compound | 中科中山药物创新研究院 | 2024-05-28 | — | — | CN | disclosed |