Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL744815 | 0.81 | ALOX15 (0.45) | ALDH1A1HTR2C | |
| SCHEMBL8932260 | 0.79 | OPRL1 (0.35) | ALDH1A1DRD2HTR2C | |
| SCHEMBL8932242 | 0.79 | OPRL1 (0.35) | ALDH1A1DRD2HTR2C | |
| SCHEMBL8932243 | 0.79 | OPRL1 (0.35) | ALDH1A1DRD2HTR2C | |
| SCHEMBL8932238 | 0.76 | MEN1 (0.47) | ALDH1A1CYP1A2HTR2C | |
| SCHEMBL8932317 | 0.74 | ALDH1A1 (0.35) | ALDH1A1HTR1DHTR1BDRD2HSD17B10 | |
| SCHEMBL604341 | 0.74 | CHRM4 (0.38) | DRD2CNR2 | |
| SCHEMBL604342 | 0.74 | CHRM4 (0.38) | DRD2CNR2 | |
| SCHEMBL18361625 | 0.74 | DRD2 (0.49) | HCRTR2DRD2 | |
| Aniline SCHEMBL22169152 | 0.74 | TSHR (0.48) | ALDH1A1CYP1A2HSD17B10HTR2C |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5498624-A | PLANT FUNGICIDES | MONSANTO COMPANY (US) | 1996-03-12 | — | — | US | disclosed |