Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.40 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | DRD1 | P21728 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR2B | P41595 | 1/20 | 0.40 |
| ▸ | CCR2 | P41597 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29610590 | 1.00 | CYP2A6 (0.40) | CYP2A6ASIC3LOXL2ABCB11ALDH1A1 | |
| SCHEMBL4912489 | 0.81 | CYP2A6 (0.44) | CYP2A6ASIC3LOXL2MGLLCA12 | |
| SCHEMBL9396821 | 0.74 | CYP2A6 (0.44) | CYP2A6ASIC3LOXL2CYP1A2ALOX15 | |
| SCHEMBL2494057 | 0.74 | CYP2A6 (0.44) | CYP2A6ASIC3LOXL2MGLLCA12 | |
| SCHEMBL6539418 | 0.71 | BCL2L1 (0.48) | CYP2A6ASIC3LOXL2MGLLCA12 | |
| SCHEMBL6006529 | 0.69 | GRM5 (0.47) | CYP2A6ASIC3LOXL2MGLLCA12 | |
| SCHEMBL10514091 | 0.69 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2MGLLCA12 | |
| SCHEMBL13123451 | 0.69 | CYP2A6 (0.53) | CYP2A6ASIC3LOXL2ALDH1A1CYP3A4 | |
| SCHEMBL1259272 | 0.67 | SLC9A1 (0.53) | CYP2A6ASIC3LOXL2CYP1A2ALOX15 | |
| SCHEMBL331218 | 0.67 | MIF (0.42) | ABCB11ALDH1A1NR3C1CYP1A2CYP3A4 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114516848-A | Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition | 万华化学集团股份有限公司 | 2022-05-20 | — | — | CN | claimed |
| CN-114516848-A | Preparation method of polycarbonate high-temperature degradation resistant agent and polycarbonate composition | 万华化学集团股份有限公司 | 2022-05-20 | — | — | CN | disclosed |
| EP-0243173-B1 | NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1991-06-26 | — | — | EP | disclosed |
| US-4963536-A | INHIBIT BONE RESORPTION | FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) | 1990-10-16 | — | — | US | disclosed |
| US-4857513-A | Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same | FUJISIWA PHARMACEUTICAL CO., LTD. (JP) | 1989-08-15 | — | — | US | disclosed |
| EP-0243173-A2 | New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1987-10-28 | — | — | EP | disclosed |
| US-3972895-A | ANIMAL GROWTH REGULATOR, HERBICIDE | AMERICAN CYANAMID COMPANY (US) | 1976-08-03 | — | — | US | disclosed |