Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.44 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.43 |
| ▸ | GAA | P10253 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | NOS3 | P29474 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.39 |
| ▸ | NOS2 | P35228 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8556625 | 1.00 | ALDH1A1 (0.51) | ALDH1A1NPSR1TAS1R3TAS1R1HTT | |
| SCHEMBL8553227 | 0.90 | ALDH1A1 (0.55) | ALDH1A1TAS1R3TAS1R1HTTNOS3 | |
| SCHEMBL8652442 | 0.90 | ALDH1A1 (0.55) | ALDH1A1TAS1R3TAS1R1HTTNOS3 | |
| SCHEMBL6485024 | 0.87 | ALDH1A1 (0.52) | ALDH1A1NPSR1TAS1R3TAS1R1HTT | |
| SCHEMBL4421052 | 0.87 | ALDH1A1 (0.52) | ALDH1A1NPSR1TAS1R3TAS1R1HTT | |
| SCHEMBL8656928 | 0.87 | GAA (0.46) | ALDH1A1HTTGAAMEN1KMT2A | |
| SCHEMBL8557083 | 0.87 | GAA (0.46) | ALDH1A1HTTGAAMEN1KMT2A | |
| SCHEMBL8556995 | 0.87 | SDCBP (0.47) | ALDH1A1NPSR1THRB | |
| SCHEMBL8556999 | 0.87 | SDCBP (0.47) | ALDH1A1NPSR1THRB | |
| SCHEMBL8651617 | 0.84 | TAS1R3 (0.52) | ALDH1A1TAS1R3TAS1R1NOS3NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5847211-A | Substituted 1H-3-Aryl-pyrrolidine-2,4-dione derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1998-12-08 | — | — | US | disclosed |
| US-5622917-A | PESTICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-04-22 | — | — | US | disclosed |