Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 4/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.47 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | TOP2A | P11388 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1327984 | 0.96 | CYP1A2 (0.55) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8851020 | 0.94 | CYP1A2 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL16948556 | 0.94 | CYP1A2 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| Hydrochloric Acid SCHEMBL10758938 | 0.92 | CYP1A2 (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL7143098 | 0.92 | CYP1A2 (0.57) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL7416986 | 0.92 | CYP1A2 (0.52) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL8367259 | 0.91 | CYP1A2 (0.55) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL31442225 | 0.91 | CYP1A2 (0.55) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL11183623 | 0.90 | CYP1A2 (0.53) | CYP1A2GAAMGAMSIMGAM2 | |
| SCHEMBL20937509 | 0.89 | LTA4H (0.52) | CYP1A2GAAMGAMSIMGAM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113856637-B | Preparation method and application of chelate adsorption filler | 万华化学集团股份有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-113856637-A | Preparation method and application of chelate adsorption filler | 万华化学集团股份有限公司 | 2021-12-31 | — | — | CN | disclosed |
| US-5760221-A | Method for the preparation of hexahydroazepinones and hexahydroazepinoles | ASTA MEDICA AKTIENGESELLSCHAFT (DE) | 1998-06-02 | — | — | US | disclosed |