Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.45 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.43 |
| ▸ | TDO2 | P48775 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 9/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 8/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.42 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL4187553 | 0.85 | LRRK2 (0.43) | CYP19A1ABCG2SYKSCN9ALRRK2 | |
| SCHEMBL395539 | 0.82 | CA2 (0.52) | ABCG2SYKEGFRKDRABCB1 | |
| SCHEMBL6800254 | 0.79 | CYP11B2 (0.59) | CYP19A1ABCG2SYKTDO2CYP11B2 | |
| SCHEMBL6801519 | 0.79 | LRRK2 (0.56) | ABCG2SYKSCN9AEGFRKDR | |
| SCHEMBL1981048 | 0.78 | ABCG2 (0.51) | ABCG2SYKEGFRKDRCYP11B2 | |
| SCHEMBL14031014 | 0.77 | SCN10A (0.45) | ABCG2SYKSCN9AEGFRKDR | |
| SCHEMBL25546850 | 0.76 | MMP3 (0.56) | ABCG2LRRK2CYP11B2ABCB1DHODH | |
| SCHEMBL15898496 | 0.75 | GRM4 (0.38) | — | |
| SCHEMBL28610259 | 0.74 | SYK (0.51) | ABCG2SYKSCN9ATDO2CYP11B2 | |
| SCHEMBL15159900 | 0.74 | LRRK2 (0.60) | ABCG2LRRK2TDO2CYP11B2ABCB1 |
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-113387894-B | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2023-02-24 | — | — | CN | disclosed |
| CN-113387894-A | 1-N-benzene acetonitrile amido-triazole and pyrimidine derivative, preparation method and application thereof | 首都医科大学脑重大疾病研究中心(北京脑重大疾病研究院) | 2021-09-14 | — | — | CN | disclosed |
| EP-0640595-B1 | SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMA CO LTD (JP) | 1999-03-24 | — | — | EP | disclosed |
| CN-1039228-C | Novel substituted tert-amino compund | YAMANOUCHI PHARMA CO LTD (JP) | 1998-07-22 | — | — | CN | disclosed |
| US-5538976-A | ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE | YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) | 1996-07-23 | — | — | US | disclosed |
| EP-0640595-A1 | NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF | YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) | 1995-03-01 | — | — | EP | disclosed |
| CN-1079962-A | New substituted tertiary amine compound and salt thereof | YAMANOUCHI PHARMA CO LTD (JP) | 1993-12-29 | — | — | CN | disclosed |