Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | GPR3 | P46089 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | TOP2A | P11388 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.37 |
| ▸ | DUSP10 | Q9Y6W6 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL25232031 | 0.74 | KDM4E (0.47) | KDM4EGPR3ADORA3TLR7TOP2A | |
| SCHEMBL2044718 | 0.73 | KDM4E (0.46) | KDM4EGPR3ADORA3TOP2APDPK1 | |
| SCHEMBL5730386 | 0.72 | CYP2A6 (0.46) | CYP1A2 | |
| SCHEMBL2297181 | 0.69 | GPR3 (0.61) | KDM4EGPR3ADORA3TLR7TOP2A | |
| SCHEMBL4164142 | 0.69 | LMNA (0.66) | KDM4EGPR3ADORA3TLR7TOP2A | |
| SCHEMBL14995010 | 0.69 | KDM4E (0.73) | KDM4EGPR3ADORA3TLR7TOP2A | |
| SCHEMBL19007830 | 0.69 | CYP1A2 (0.61) | KDM4EGPR3ADORA3TLR7TOP2A | |
| Phenanthridine SCHEMBL8666 | 0.69 | GPR3 (1.00) | KDM4EGPR3ADORA3TOP2APDPK1 | |
| Phenanthridine SCHEMBL9106884 | 0.69 | GPR3 (1.00) | KDM4EGPR3ADORA3TOP2APDPK1 | |
| Phenanthridine SCHEMBL30914262 | 0.69 | GPR3 (1.00) | KDM4EGPR3ADORA3TOP2APDPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |