Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | PARP1 | P09874 | 1/20 | 0.51 |
| ▸ | EGFR | P00533 | 1/20 | 0.50 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.49 |
| ▸ | F3 | P13726 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL11399297 | 1.00 | CYP1A2 (0.56) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11406104 | 0.97 | CYP1A2 (0.52) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11406098 | 0.97 | CYP1A2 (0.52) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11395056 | 0.94 | ALDH1A1 (0.55) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11395061 | 0.94 | ALDH1A1 (0.55) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL12924504 | 0.87 | ALDH1A1 (0.48) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11395792 | 0.81 | KMT2A (0.52) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL11395797 | 0.81 | KMT2A (0.52) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL24440744 | 0.79 | MAPT (0.60) | CYP1A2PKMALDH1A1LMNAGAA | |
| SCHEMBL9619547 | 0.78 | CYP1A2 (0.69) | CYP1A2ALDH1A1EGFRHSD11B1F3 |
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-4282353-A | Process for the preparation of unsaturated ketones containing glycidyl groups | CIBA-GEIGY CORPORATION (US) | 1981-08-04 | — | — | US | disclosed |