Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | PTGES | O14684 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL8948707 | 0.84 | GRM2 (0.34) | — | |
| SCHEMBL8389994 | 0.74 | HTR2A (0.33) | HTR2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10044410 | 0.73 | ALDH1A1 (0.39) | HTR2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8948519 | 0.73 | ALDH1A1 (0.37) | HTR2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL9218811 | 0.73 | CA1 (0.33) | CA1CA2CA9 | |
| SCHEMBL8117537 | 0.69 | ALDH1A1 (0.38) | HTR2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8948549 | 0.69 | ACHE (0.38) | — | |
| SCHEMBL8948775 | 0.68 | ALDH1A1 (0.39) | HTR2AALDH1A1FFAR4 | |
| Hydrochloric Acid SCHEMBL8117330 | 0.68 | ALDH1A1 (0.37) | HTR2AALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8948565 | 0.68 | NLRP3 (0.38) | PTGESALDH1A1CYP1A2CYP3A4CYP2D6 |
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 |