Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL6224289 | 0.88 | KMT2A (0.55) | CYP1A2CYP2C9HPGDMAPK1CYP2C19 | |
| SCHEMBL11373281 | 0.81 | MAPT (0.54) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 | |
| SCHEMBL10844217 | 0.78 | MAPT (0.48) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 | |
| SCHEMBL10408460 | 0.75 | CYP19A1 (0.56) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 | |
| SCHEMBL6320401 | 0.74 | MAPT (0.44) | CYP19A1HSP90AA1MAPTMEN1KMT2A | |
| SCHEMBL28216246 | 0.74 | CYP19A1 (0.54) | CYP19A1MAPTCYP26A1 | |
| SCHEMBL28497481 | 0.71 | CYP24A1 (0.47) | CYP19A1SMN1; SMN2NPC1 | |
| SCHEMBL11563115 | 0.70 | CYP19A1 (0.50) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 | |
| SCHEMBL10711903 | 0.70 | CYP19A1 (0.53) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 | |
| SCHEMBL27494651 | 0.70 | CYP19A1 (0.57) | CYP1A2CYP2C9CYP2C19CYP19A1HSP90AA1 |
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-20050272036-A1 | Ketones | ASTRAZENECA AB (SE) | 2005-12-08 | — | — | US | disclosed |