Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL14444109 | 0.81 | ALDH1A1 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL11218997 | 0.80 | ALDH1A1 (0.36) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL23541869 | 0.80 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL7994509 | 0.79 | ALDH1A1 (0.48) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8388701 | 0.78 | ALDH1A1 (0.32) | ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL10961028 | 0.78 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL30813517 | 0.76 | ALDH1A1 (0.31) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL4241344 | 0.76 | ALDH1A1 (0.37) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8948789 | 0.75 | ADRA1A (0.39) | ALDH1A1CYP3A4 | |
| SCHEMBL8939989 | 0.75 | PTGES (0.39) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19 |
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 |