Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.54 |
| ▸ | NOS3 | P29474 | 1/20 | 0.41 |
| ▸ | NOS1 | P29475 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.41 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.35 |
| ▸ | CDK2 | P24941 | 2/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.35 |
| ▸ | PDE8B | O95263 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8386421 | 0.82 | CASP1 (0.50) | CASP1NOS2HRH4TSHRCYP1A2 | |
| SCHEMBL23163269 | 0.80 | CASP1 (0.48) | CASP1HRH4TSHRCYP1A2 | |
| SCHEMBL4448651 | 0.76 | CASP1 (0.77) | CASP1HRH4TSHRCYP1A2SMN1; SMN2 | |
| SCHEMBL1149910 | 0.76 | CASP1 (0.48) | CASP1HRH4TSHRCYP1A2SMN1; SMN2 | |
| SCHEMBL672555 | 0.75 | HRH4 (0.55) | CASP1NOS3NOS1NOS2HRH4 | |
| SCHEMBL18120873 | 0.73 | TAAR1 (0.46) | CASP1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL671139 | 0.72 | CASP1 (0.62) | CASP1NOS3NOS1NOS2HRH4 | |
| SCHEMBL11370480 | 0.71 | CASP1 (0.60) | CASP1TSHRCYP1A2 | |
| SCHEMBL27570530 | 0.71 | CASP1 (0.48) | CASP1TSHRCYP1A2 | |
| SCHEMBL1707515 | 0.71 | CASP1 (0.88) | CASP1HRH4TSHRCYP1A2TLR7 |
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-4211688-A | Process for dyeing high-molecular organic material in the melt | CIBA-GEIGY CORPORATION (US) | 1980-07-08 | — | — | US | disclosed |