Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 8/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | PTPRC | P08575 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16116290 | 0.76 | IDO1 (0.48) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL672394 | 0.76 | IDO1 (0.48) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL28774870 | 0.73 | IDO1 (0.46) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL27679236 | 0.73 | IDO1 (0.46) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL3070200 | 0.72 | IDO1 (0.71) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL79058 | 0.72 | IDO1 (0.58) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL5682297 | 0.72 | CYP2C9 (0.53) | NPSR1L3MBTL1CYP2C19CYP2C9CYP1A2 | |
| SCHEMBL20109346 | 0.71 | IDO1 (0.44) | IDO1NOS3NOS1NOS2TDP1 | |
| Hydrochloric Acid SCHEMBL11629727 | 0.70 | IDO1 (0.59) | IDO1NOS3NOS1NOS2TDP1 | |
| SCHEMBL2364065 | 0.70 | IDO1 (0.69) | IDO1NOS3NOS1NOS2TDP1 |
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-2011157444-A1 | FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION | STICHTING DUTCH POLYMER INSTITUTE (NL) | 2011-12-22 | — | — | WO | disclosed |