Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CLEC4M | Q9H2X3 | 1/20 | 0.55 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.50 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.49 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11201895 | 0.90 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11200159 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11201900 | 0.79 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL13928204 | 0.78 | MMP13 (0.51) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL11195663 | 0.78 | CLEC4M (0.78) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL7308147 | 0.73 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C19CLEC4MGABRA1 | |
| SCHEMBL29877091 | 0.73 | GABRA1 (0.61) | CLEC4MGABRA1GABRB2MEN1KMT2A | |
| SCHEMBL22886419 | 0.73 | GABRA1 (0.61) | CLEC4MGABRA1GABRB2MEN1KMT2A | |
| SCHEMBL28906065 | 0.73 | GABRA1 (0.61) | CLEC4MGABRA1GABRB2MEN1KMT2A | |
| SCHEMBL18617653 | 0.72 | MMP13 (0.56) | CYP1A2MEN1KMT2AMAPTMMP13 |
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 |