Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNQ3 | O43525 | 1/20 | 0.60 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5863061 | 1.00 | KCNQ3 (0.60) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863059 | 1.00 | KCNQ3 (0.60) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863452 | 0.92 | KCNQ2 (0.61) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863444 | 0.92 | KCNQ2 (0.61) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863447 | 0.92 | KCNQ2 (0.61) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863134 | 0.92 | KCNQ3 (0.71) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863139 | 0.92 | KCNQ3 (0.71) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863130 | 0.92 | KCNQ3 (0.71) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863261 | 0.90 | KCNQ3 (0.61) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 | |
| SCHEMBL5863256 | 0.90 | KCNQ3 (0.61) | KCNQ3KCNQ2CYP1A2CYP3A4CYP19A1 |
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-7087609-B2 | 3-(pyridinyl-piperazin-1-yl)-phenylethyl amides as potassium channel openers | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-08-08 | — | — | US | disclosed |