Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9848195 | 0.82 | TP53 (0.58) | CYP1A2CYP19A1CYP2C9CYP2C19RAB9A | |
| SCHEMBL4059828 | 0.81 | KEAP1 (0.57) | CYP1A2CYP19A1CYP2C9CYP2C19RAB9A | |
| SCHEMBL6005391 | 0.74 | L3MBTL1 (0.69) | MAPTSMN1; SMN2L3MBTL1ERCC5FEN1 | |
| SCHEMBL22013506 | 0.73 | POLB (0.46) | RAB9AMAPTSMN1; SMN2L3MBTL1ERCC5 | |
| SCHEMBL27684063 | 0.73 | CTSA (0.44) | CYP2C9CYP2C19MAPTSMN1; SMN2L3MBTL1 | |
| SCHEMBL10389972 | 0.73 | SMN1; SMN2 (0.54) | RAB9AMAPTSMN1; SMN2L3MBTL1ATM | |
| SCHEMBL27589233 | 0.73 | MAPT (0.49) | MAPTSMN1; SMN2L3MBTL1ERCC5FEN1 | |
| SCHEMBL17742757 | 0.73 | KMO (0.67) | CYP1A2CYP19A1ALDH1A1 | |
| SCHEMBL13078374 | 0.73 | KMO (0.63) | MAPTSMN1; SMN2L3MBTL1ERCC5FEN1 | |
| SCHEMBL13352170 | 0.72 | L3MBTL1 (0.64) | RAB9AMAPTSMN1; SMN2L3MBTL1TP53 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0414391-A2 | Aminoketone derivatives and use thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1991-02-27 | — | — | EP | disclosed |