Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 3/20 | 0.50 |
| ▸ | CES1 | P23141 | 3/20 | 0.50 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | PHGDH | O43175 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Thiobenzoic Acid SCHEMBL28579899 | 0.86 | CES2 (0.54) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL1178820 | 0.84 | TSHR (0.41) | TSHRALOX15CES2CES1SRD5A2 | |
| Thiobenzoic Acid SCHEMBL28199547 | 0.83 | TSHR (0.58) | TSHRALOX15CES2CES1L3MBTL1 | |
| Thiobenzoic Acid SCHEMBL7584275 | 0.82 | CES2 (0.50) | TSHRALOX15CES2CES1L3MBTL1 | |
| Thiobenzoic Acid SCHEMBL21633416 | 0.81 | CES2 (0.48) | TSHRALOX15CES2CES1L3MBTL1 | |
| SCHEMBL9057512 | 0.79 | CES2 (0.58) | TSHRALOX15CES2CES1SRD5A2 | |
| Isopropylbenzene SCHEMBL21641784 | 0.79 | CES2 (0.47) | CES2CES1L3MBTL1CYP3A4LMNA | |
| Thiobenzoic Acid SCHEMBL21633501 | 0.79 | CES2 (0.47) | TSHRALOX15CES2CES1L3MBTL1 | |
| Thiobenzoic Acid SCHEMBL21838348 | 0.79 | CES2 (0.47) | TSHRALOX15CES2CES1L3MBTL1 | |
| Thiobenzoic Acid SCHEMBL9789868 | 0.78 | CES2 (0.46) | TSHRCES2CES1LMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-112264103-B | Silver-based metal organic framework material and preparation method and application thereof | 山东大学 | 2022-01-25 | — | — | CN | claimed |
| US-4296092-A | Mucolytic benzene and thiophene-carbothioic acid 2-aminoalkyl ester acid salts | A. H. ROBINS COMPANY, INC. (US) | 1981-10-20 | — | — | US | claimed |
| US-4252814-A | ANTIFERTILITY AGENTS, INSECTICIDES | AMERICAN CYANAMID COMPANY (US) | 1981-02-24 | — | — | US | claimed |
| CN-114478149-B | Carboxylic acid compound and preparation method thereof | 吉林化工学院 | 2023-09-15 | — | — | CN | disclosed |
| CN-114478149-A | Carboxylic acid compound and preparation method thereof | 吉林化工学院 | 2022-05-13 | — | — | CN | disclosed |
| CN-108484461-B | Preparation method of alkynylamide-mediated thioamide and application of thioamide in thiopolypeptide synthesis | 江西师范大学 | 2021-01-26 | — | — | CN | disclosed |
| CN-1918155-B | Compounds and compositions as LXR modulators | IRM LLC | 2010-05-26 | — | — | CN | disclosed |
| CN-1918155-A | Compounds and compositions as lxr modulators | IRM LLC (BM) | 2007-02-21 | — | — | CN | disclosed |
| CN-1802370-A | Aroylsemicarbazides against thromboembolic diseases | MERCK PATENT GMBH (DE) | 2006-07-12 | — | — | CN | disclosed |
| US-4296092-A | Mucolytic benzene and thiophene-carbothioic acid 2-aminoalkyl ester acid salts | A. H. ROBINS COMPANY, INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4269778-A | REACTING AN ACETONE OR DIMETHYLFORMAMIDE SUSPENSION OF THE SULFONATE DERIVATIVE OBTAINED FROM REACTING THE ALCOHOL WITH A SULFONATING AGENT WITH A THIO CARBOXYLATE | SIPSY (FR) | 1981-05-26 | — | — | US | disclosed |
| US-4252814-A | ANTIFERTILITY AGENTS, INSECTICIDES | AMERICAN CYANAMID COMPANY (US) | 1981-02-24 | — | — | US | disclosed |
| US-4198428-A | PESTICIDES, MICROBIOCIDES, MOLLUSCOCIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1980-04-15 | — | — | US | disclosed |