Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.52 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.46 |
| ▸ | NQO2 | P16083 | 6/20 | 0.46 |
| ▸ | GLA | P06280 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ACACA | Q13085 | 1/20 | 0.39 |
| ▸ | BRD9 | Q9H8M2 | 2/20 | 0.36 |
| ▸ | BRD7 | Q9NPI1 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11589595 | 0.80 | NQO2 (0.44) | ADORA1CYP19A1NQO2KDM4EGAA | |
| SCHEMBL76177 | 0.77 | KDM4E (0.56) | ADORA1CYP19A1NQO2GLAALDH1A1 | |
| SCHEMBL29377253 | 0.77 | KDM4E (0.56) | ADORA1CYP19A1NQO2GLAALDH1A1 | |
| Perchlorate SCHEMBL30042407 | 0.70 | KDM4E (0.49) | ADORA1CYP19A1NQO2GLAALDH1A1 | |
| SCHEMBL11588815 | 0.69 | NCF1 (0.34) | ALDH1A1SMN1; SMN2KDM4EHSD17B10MAPT | |
| SCHEMBL27185229 | 0.67 | ACACA (0.46) | ALDH1A1KDM4EHSD17B10MAPTACACA | |
| SCHEMBL27185316 | 0.67 | ALOX15 (0.48) | ACACA | |
| SCHEMBL11379787 | 0.65 | KCNA3 (0.61) | CYP19A1NQO2GLAALDH1A1SMN1; SMN2 | |
| SCHEMBL30783436 | 0.65 | KCNA3 (0.61) | CYP19A1NQO2GLAALDH1A1SMN1; SMN2 | |
| SCHEMBL27060737 | 0.65 | NCF1 (0.65) | NQO2ALDH1A1SMN1; SMN2KDM4EHPGD |
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-4103257-A | BLUE TO NEAR ULTRAVIOLET | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 1978-07-25 | — | — | US | disclosed |