Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.43 |
| ▸ | CHRNG | P07510 | 1/20 | 0.43 |
| ▸ | ITGA5 | P08648 | 1/20 | 0.43 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL9557598 | 1.00 | ABCB1 (0.47) | ABCB1ALDH1A1HPGDGAAMAPT | |
| SCHEMBL9557427 | 0.96 | ALDH1A1 (0.48) | ABCB1ALDH1A1HPGDGAAMAPT | |
| SCHEMBL9556950 | 0.93 | ALDH1A1 (0.43) | ABCB1ALDH1A1HPGDGAAMAPT | |
| SCHEMBL9557795 | 0.91 | THRB (0.45) | ABCB1ALDH1A1HPGDGAAMAPT | |
| SCHEMBL9558207 | 0.90 | ACLY (0.44) | ABCB1MAPTHTTCYP3A4CYP2C9 | |
| SCHEMBL9557877 | 0.87 | CES2 (0.49) | ALDH1A1MAPTPOLBMAOB | |
| SCHEMBL9557635 | 0.87 | CES2 (0.49) | ALDH1A1MAPTPOLBMAOB | |
| SCHEMBL8174989 | 0.86 | POLB (0.50) | ALDH1A1HPGDCYP3A4CYP2C9SMN1; SMN2 | |
| SCHEMBL9557559 | 0.84 | CYP3A4 (0.49) | MAPTHTTCYP3A4CYP2C9SLC6A2 | |
| SCHEMBL9557497 | 0.84 | HPGD (0.49) | ABCB1HPGDMAPTCYP3A4CYP2C9 |
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-5225443-A | Lepidotera and Coleoptera insecticides to protect plants | ROHM AND HAAS COMPANY (US) | 1993-07-06 | — | — | US | disclosed |
| EP-0245950-A2 | Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines | ROHM AND HAAS COMPANY (US) | 1987-11-19 | — | — | EP | disclosed |