Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR1 | Q9BXC0 | 4/20 | 0.49 |
| ▸ | PARP1 | P09874 | 4/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 2/20 | 0.37 |
| ▸ | GSK3B | P49841 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | PI4KA | P42356 | 1/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1286937 | 0.86 | GSR (0.37) | HCAR1PARP1TDP1HPGDCYP1A2 | |
| SCHEMBL1286921 | 0.85 | GSR (0.36) | HCAR1PARP1TDP1HPGDCYP1A2 | |
| SCHEMBL21768327 | 0.84 | HCAR1 (0.49) | HCAR1PARP1GSK3AGSK3BCYP2C19 | |
| SCHEMBL637358 | 0.83 | HCAR1 (0.48) | HCAR1PARP1ALDH1A1LMNAPDE4A | |
| SCHEMBL8039252 | 0.81 | PARP1 (0.34) | HCAR1PARP1GAAKDM4EPOLB | |
| SCHEMBL1286942 | 0.80 | PDE4A (0.45) | HCAR1GSK3AGSK3BHPGDGAA | |
| SCHEMBL1286959 | 0.80 | HCAR1 (0.49) | HCAR1TDP1GSK3AGSK3BPI4KA | |
| SCHEMBL1286934 | 0.77 | MAPK9 (0.38) | HPGDCYP1A2CYP3A4GAACYP2C19 | |
| SCHEMBL9283416 | 0.77 | PDE5A (0.46) | PARP1CYP2C19KDM4EALDH1A1LMNA | |
| SCHEMBL11610786 | 0.76 | PARP1 (0.42) | HCAR1PARP1GSK3AGSK3BPOLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012047630-A2 | N-ALKYL OR N-ARYL SUBSTITUTED GUANIDE AND BIGUANIDE COMPOUNDS AND METHODS OF THEIR USE | TEINTZE MARTIN (US) | 2012-04-12 | — | — | WO | disclosed |