Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 5/20 | 0.40 |
| ▸ | BCHE | P06276 | 6/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL414603 | 0.89 | BCHE (0.39) | BCHETDP1 | |
| SCHEMBL412612 | 0.87 | TDP1 (0.40) | NLRP3BCHEACHETDP1CHRM2 | |
| SCHEMBL418468 | 0.83 | BCHE (0.43) | BCHEACHETDP1CHRM2CHRM1 | |
| SCHEMBL416610 | 0.81 | NPC1 (0.45) | BCHEACHETDP1 | |
| SCHEMBL415495 | 0.78 | NPC1 (0.45) | BCHEACHETDP1CHRM2CHRM1 | |
| SCHEMBL416337 | 0.76 | BCHE (0.43) | BCHEACHETDP1CHRM2CHRM1 | |
| SCHEMBL412451 | 0.75 | ACHE (0.54) | BCHEACHETDP1CHRM2CHRM1 | |
| SCHEMBL413866 | 0.74 | RIPK1 (0.51) | TDP1 | |
| SCHEMBL2483859 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL417326 | 0.73 | ACHE (0.50) | BCHEACHETDP1CHRM2CHRM1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2376431-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | LABORATOIRE BIODIM (FR) | 2011-10-19 | — | — | EP | disclosed |
| WO-2010066847-A1 | NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS | CELLVIR (FR) | 2010-06-17 | — | — | WO | disclosed |