Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PRKCA | P17252 | 6/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | EBP | Q15125 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL31473476 | 1.00 | CYP1A2 (0.47) | CYP1A2PPARGSMN1; SMN2ALDH1A1PRKCA | |
| SCHEMBL28376540 | 0.78 | CYP1A2 (0.53) | CYP1A2PPARGALDH1A1PRKCAGRM2 | |
| SCHEMBL6548950 | 0.76 | CYP1A2 (0.50) | CYP1A2PPARGALDH1A1PRKCAGRM2 | |
| SCHEMBL10792575 | 0.76 | CYP1A2 (0.59) | CYP1A2PPARGALDH1A1PRKCAGRM2 | |
| SCHEMBL31634542 | 0.75 | CYP1A2 (0.50) | CYP1A2PPARGALDH1A1PRKCAGRM2 | |
| SCHEMBL31634535 | 0.75 | CYP1A2 (0.42) | CYP1A2ALDH1A1PRKCA | |
| SCHEMBL31634541 | 0.75 | CYP1A2 (0.42) | CYP1A2ALDH1A1PRKCA | |
| SCHEMBL8025095 | 0.75 | CYP1A2 (0.42) | CYP1A2ALDH1A1PRKCA | |
| SCHEMBL17074077 | 0.75 | CYP1A2 (0.59) | CYP1A2PPARGALDH1A1PRKCAGRM2 | |
| SCHEMBL6310548 | 0.75 | CYP1A2 (0.50) | CYP1A2PPARGALDH1A1PRKCAGRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4983766-A | Chemical intermediates for optically active secondary alcohols | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1991-01-08 | — | — | US | disclosed |
| US-4812476-A | SECONDARY ALCOHOLS FROM ALDEHYDE AND 3-HYDROXYBUTYRIC ACID | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-03-14 | — | — | US | disclosed |
| EP-0244143-A2 | Substituted dioxanones and dioxinones | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1987-11-04 | — | — | EP | disclosed |