Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.31 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | PSMB8 | P28062 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948586 | 0.78 | TYMS (0.40) | ALDH1A1CD44L3MBTL1ADORA2ACYP3A4 | |
| SCHEMBL18089744 | 0.70 | ADORA2A (0.36) | ALDH1A1CD44L3MBTL1ADORA2ACYP3A4 | |
| SCHEMBL8948563 | 0.69 | ADORA2A (0.33) | ADORA2A | |
| SCHEMBL22851407 | 0.65 | GRK6 (0.41) | ALDH1A1CD44L3MBTL1ADORA2ACYP3A4 | |
| SCHEMBL18866953 | 0.63 | ALDH1A1 (0.45) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL8948488 | 0.62 | PARP1 (0.38) | ALDH1A1L3MBTL1ADORA2ACYP3A4NPSR1 | |
| SCHEMBL2666086 | 0.60 | CD44 (0.34) | ALDH1A1CD44CYP3A4TSHRPIK3CA | |
| SCHEMBL569823 | 0.60 | LMNA (0.48) | ALDH1A1KDM4ENPSR1 | |
| SCHEMBL560128 | 0.60 | ALDH1A1 (0.56) | ALDH1A1CD44L3MBTL1ADORA2ACYP3A4 | |
| SCHEMBL24575598 | 0.59 | ALDH1A1 (0.33) | ALDH1A1CD44CYP3A4TSHRPIK3CA |
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-5521147-A | HERBICIDES | FMC CORPORATION (US) | 1996-05-28 | — | — | US | disclosed |
| WO-1995005079-A1 | 3-(BENZOFURAN-7-YL)-6-HALOALKYLURACILS | FMC CORPORATION (US) | 1995-02-23 | — | — | WO | disclosed |