Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PAX8 | Q06710 | 1/20 | 0.59 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.54 |
| ▸ | NAPEPLD | Q6IQ20 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.48 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ESRRG | P62508 | 1/20 | 0.44 |
| ▸ | CNR1 | P21554 | 2/20 | 0.43 |
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 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 | |
|---|---|---|---|---|
| SCHEMBL11599591 | 0.84 | ITGA4 (0.68) | PAX8ITGA4NAPEPLDHCRTR1MAOB | |
| SCHEMBL11599882 | 0.79 | GABRA1 (0.66) | GABRA1GABRA5CYP1A2MAOBALDH1A1 | |
| SCHEMBL11550720 | 0.79 | CNR1 (0.67) | PAX8ITGA4NAPEPLDHCRTR1CNR1 | |
| SCHEMBL11672474 | 0.79 | BCHE (0.54) | PAX8HRH3MAOBCNR2ESR1 | |
| SCHEMBL11622183 | 0.79 | HRH3 (0.50) | PAX8HRH3CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL11602188 | 0.78 | HRH3 (0.45) | PAX8ITGA4NAPEPLDHRH3CYP1A2 | |
| SCHEMBL11601813 | 0.78 | CNR2 (0.53) | MAOBCNR1CNR2ESR1ESR2 | |
| SCHEMBL4652009 | 0.78 | CNR2 (0.75) | PAX8ITGA4NAPEPLDHCRTR1CNR1 | |
| SCHEMBL5726049 | 0.78 | HRH3 (0.68) | HRH3CYP1A2CYP3A4CYP2C19BLM | |
| SCHEMBL11732399 | 0.77 | ALK (0.47) | PAX8ITGA4NAPEPLDCNR2ESR1 |
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-4075227-A | NONSTEROIDAL | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |