Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 9/20 | 0.46 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.46 |
| ▸ | AR | P10275 | 3/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL30943258 | 0.80 | LMNA (0.56) | MAOBCYP19A1ARALDH1A1CYP3A4 | |
| SCHEMBL32498549 | 0.78 | MAOB (0.65) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL403523 | 0.78 | MAOB (0.65) | MAOBCYP19A1ARHSD17B10KDM4E | |
| Water SCHEMBL6439945 | 0.77 | MAOB (0.62) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL14862348 | 0.76 | MAOB (0.43) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL23320530 | 0.75 | CYP19A1 (0.49) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL28635105 | 0.75 | CYP19A1 (0.49) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL25294651 | 0.74 | ESR1 (0.55) | — | |
| SCHEMBL30991548 | 0.73 | NISCH (0.40) | MAOBCYP19A1ARHSD17B10KDM4E | |
| SCHEMBL16372547 | 0.72 | TDP1 (0.44) | MAOBKDM4EMAOAALDH1A1MAPT |
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-112654608-B | Fused ring compound having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2024-05-07 | — | — | CN | disclosed |