Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ2 | O43526 | 1/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | MC4R | P32245 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.37 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL1966206 | 0.85 | KCNQ2 (0.49) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL30427742 | 0.85 | KCNQ2 (0.49) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL3364493 | 0.84 | KCNQ2 (0.48) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL10779187 | 0.81 | LMNA (0.51) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL17168998 | 0.81 | KCNQ2 (0.46) | KCNQ2CES2CES1CYP3A4GAA | |
| SCHEMBL6722066 | 0.79 | ESR1 (0.41) | GAALMNAMEN1KMT2ATSHR | |
| SCHEMBL27607833 | 0.79 | CES2 (0.44) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL28080811 | 0.78 | KCNQ2 (0.47) | KCNQ2CES2CES1CNR2MC4R | |
| SCHEMBL9588027 | 0.78 | KCNQ2 (0.49) | KCNQ2GAALMNAMEN1KMT2A | |
| SCHEMBL27921084 | 0.77 | CES2 (0.46) | KCNQ2CES2CES1CNR2MC4R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | claimed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | claimed |
| US-5190946-A | Piperazine compounds restore sensitivity to drug resistant cancer cells | HOFFMANN-LA ROCHE INC. (US) | 1993-03-02 | — | — | US | disclosed |
| EP-0443569-A2 | Diamine derivatives and their use in oncology | F. HOFFMANN-LA ROCHE AG (CH) | 1991-08-28 | — | — | EP | disclosed |