Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5756597 | 0.81 | CASP3 (0.42) | CASP3ALDH1A1MAPTPKMCA12 | |
| SCHEMBL4775258 | 0.66 | CETP (0.30) | — | |
| SCHEMBL3453553 | 0.66 | CETP (0.30) | — | |
| SCHEMBL23318802 | 0.66 | NPSR1 (0.48) | CASP3ALDH1A1CA12CA9SMN1; SMN2 | |
| SCHEMBL28565124 | 0.66 | NPSR1 (0.48) | CASP3ALDH1A1CA12CA9SMN1; SMN2 | |
| SCHEMBL4017572 | 0.65 | ALDH1A1 (0.55) | CASP3ALDH1A1MAPTPKMCA12 | |
| SCHEMBL17993849 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL3453172 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL5794605 | 0.65 | ALDH1A1 (0.47) | ALDH1A1MAPTPKMCA12CA9 | |
| SCHEMBL5810977 | 0.65 | ALDH1A1 (0.47) | ALDH1A1MAPTPKMCA12CA9 |
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-1539688-B1 | NOVEL COMPOUNDS COMPRISING A THIOCARBONYL-SULFANYL GROUP, WHICH CAN BE USED FOR THE RADICAL SYNTHESIS OF ALPHA-PERFLUOROALKYLAMINES | CENTRE NAT RECH SCIENT (FR) | 2016-08-10 | — | — | EP | claimed |
| US-7423161-B2 | Compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-α-perfluoroalkylamines | RHODIA CHIMIE (FR) | 2008-09-09 | — | — | US | disclosed |