Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.60 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.54 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.54 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.53 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1366633 | 0.85 | GABRA1 (0.74) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL7308147 | 0.85 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL30418194 | 0.85 | GABRA1 (0.74) | CLEC4MGABRA1GABRB2GABRB1GABRA3 | |
| SCHEMBL30906939 | 0.82 | GABRA1 (0.63) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL30906938 | 0.82 | GABRA1 (0.63) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL7294152 | 0.82 | GABRA1 (0.63) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11195663 | 0.82 | CLEC4M (0.78) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11199486 | 0.81 | CYP1A2 (0.57) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11201900 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11201895 | 0.80 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 |
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-4381304-A | 4,9-Dihydro-4,9-dioxo-1H-cyclohepta[b]pyridine derivatives | AYERST, MCKENNA & HARRISON, INC. (CA) | 1983-04-26 | — | — | US | disclosed |