Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4374391 | 0.82 | SMN1; SMN2 (0.36) | CYP3A4TSHR | |
| SCHEMBL16348497 | 0.73 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL15443869 | 0.73 | CTSK (0.31) | ROCK2 | |
| SCHEMBL17900520 | 0.73 | CTSK (0.31) | ROCK2 | |
| SCHEMBL21733206 | 0.72 | MME (0.36) | ALDH1A1HTTCYP3A4CHRM2HTR1A | |
| SCHEMBL18809655 | 0.69 | SMN1; SMN2 (0.36) | CYP3A4SLC6A2CYP2D6 | |
| SCHEMBL4376401 | 0.69 | LMNA (0.35) | CYP3A4SLC6A2SLC6A3LMNATSHR | |
| SCHEMBL30673227 | 0.68 | GAA (0.43) | PKMCTDSP1ALDH1A1ROCK2CYP3A4 | |
| SCHEMBL4374644 | 0.68 | CA12 (0.38) | SLC6A2SLC6A3 | |
| Butane SCHEMBL27518226 | 0.68 | ROCK2 (0.42) | PKMCTDSP1ROCK2CYP3A4CHRM2 |
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-7268247-B2 | Process for the preparation of phenylmalonic acid dinitriles | SYNGENTA CROP PROTECTION, INC. (US) | 2007-09-11 | — | — | US | disclosed |