Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 5/20 | 0.39 |
| ▸ | ESR1 | P03372 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | IKBKE | Q14164 | 1/20 | 0.33 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.33 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.32 |
| ▸ | NAAA | Q02083 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | TRPV3 | Q8NET8 | 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 | |
|---|---|---|---|---|
| SCHEMBL22873436 | 0.87 | PDE10A (0.34) | ESR2ESR1PDE10AGRIN1GRIN2B | |
| SCHEMBL14403053 | 0.84 | ESR2 (0.42) | ESR2ESR1IKBKETBK1TMEM97 | |
| SCHEMBL1780897 | 0.82 | ESR2 (0.44) | ESR2ESR1PDE10AIKBKETBK1 | |
| SCHEMBL6677219 | 0.82 | ESR2 (0.37) | ESR2ESR1PDE10AIKBKETBK1 | |
| SCHEMBL11905044 | 0.82 | PDE10A (0.34) | ESR2ESR1PDE10AGRIN1GRIN2B | |
| Hydrochloric Acid SCHEMBL253113 | 0.81 | ESR2 (0.36) | ESR2ESR1PDE10AIKBKETBK1 | |
| SCHEMBL11047683 | 0.80 | GRIN1 (0.50) | GRIN1GRIN2BCYP2C19MEN1KMT2A | |
| SCHEMBL8383556 | 0.80 | ESR2 (0.58) | ESR2ESR1CYP2C9CYP3A4 | |
| SCHEMBL8451083 | 0.79 | SPHK1 (0.43) | C5AR1MEN1ALDH1A1KMT2A | |
| SCHEMBL10131989 | 0.77 | IKBKE (0.38) | ESR2IKBKETBK1C5AR1MEN1 |
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-5536725-A | Insecticidal substituted-2,4-diamino-5,6,7,8-tetrahydroquinazolines | FMC CORPORATION (US) | 1996-07-16 | — | — | US | disclosed |