Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 7/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | RECQL | P46063 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 5/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL30578482 | 1.00 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL11219818 | 0.91 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL30578459 | 0.91 | TSHR (0.59) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL7461987 | 0.89 | TSHR (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL1464001 | 0.89 | TSHR (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL30675090 | 0.89 | TSHR (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL6672279 | 0.89 | TSHR (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL9652342 | 0.84 | TSHR (0.57) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL2988066 | 0.84 | TSHR (0.52) | TSHRCYP3A4ALDH1A1RECQLTDP1 | |
| SCHEMBL9464332 | 0.84 | ALDH1A1 (0.62) | TSHRCYP3A4ALDH1A1RECQLTDP1 |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020155925-A1 | NITROALKYL QUINOXALINE OR DERIVATIVE THEREOF, AMINOALKYL QUINOXALINE OR DERIVATIVE THEREOF, AND SYNTHESIS METHOD THEREFOR | 上海交通大学 | 2020-08-06 | — | — | WO | claimed |
| CN-109608406-A | A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method | 上海交通大学 | 2019-04-12 | — | — | CN | claimed |
| CN-108840827-A | The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof | 同济大学 | 2018-11-20 | — | — | CN | claimed |
| WO-2020155925-A1 | NITROALKYL QUINOXALINE OR DERIVATIVE THEREOF, AMINOALKYL QUINOXALINE OR DERIVATIVE THEREOF, AND SYNTHESIS METHOD THEREFOR | 上海交通大学 | 2020-08-06 | — | — | WO | disclosed |
| CN-109608406-A | A kind of nitro alkyl quinoxaline or derivatives thereof, aminoalkyl quinoxaline or derivatives thereof and its synthetic method | 上海交通大学 | 2019-04-12 | — | — | CN | disclosed |
| CN-108840827-A | The method of the quinoxaline that one-step synthesis method dinitro replaces or derivatives thereof | 同济大学 | 2018-11-20 | — | — | CN | disclosed |
| EP-0012909-B1 | BENZIMIDAZOLYL-2-ALKANE-PHOSPHONIC ACIDS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS CORROSION INHIBITORS OR WETTING AGENTS | BAYER AG (DE) | 1983-06-15 | — | — | EP | disclosed |
| US-4278791-A | CORROSION RESISTANCE, WETTING AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 1981-07-14 | — | — | US | disclosed |
| EP-0001246-B1 | PREPARATION OF 2-(3'- OR 4'-AMINOPHENYL)-5(OR 6)-AMINOBENZIMIDAZOLES | CASSELLA Aktiengesellschaft (DE) | 1981-02-25 | — | — | EP | disclosed |
| EP-0012909-A1 | Benzimidazolyl-2-alkane-phosphonic acids and their salts, process for their preparation and their use as corrosion inhibitors or wetting agents | BAYER AG (DE) | 1980-07-09 | — | — | EP | disclosed |
| US-4192947-A | REACTING DIAMINO NITROBENZENE WITH NITROBENZOYL CHLORIDE, CYCLIZING ANILIDE IN AQUEOUS ALKALI, REDUCING NITRO GROUPS WITH SULFIDE | CASSELLA AKTIENGESELLSCHAFT (DE) | 1980-03-11 | — | — | US | disclosed |
| EP-0001246-A1 | Preparation of 2-(3'- or 4'-aminophenyl)-5(or 6)-aminobenzimidazoles | CASSELLA Aktiengesellschaft (DE) | 1979-04-04 | — | — | EP | disclosed |
| US-4138568-A | NITRO-O-PHENYLENEDIAMINE, UREA, HALOBENZENE SOLVENT | CIBA-GEIGY CORPORATION (US) | 1979-02-06 | — | — | US | disclosed |