Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 2/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BCHE | P06276 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5354555 | 0.98 | CES2 (0.41) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL2932974 | 0.95 | CES2 (0.39) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL5042526 | 0.79 | CES2 (0.45) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL9153083 | 0.79 | G6PD (0.50) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL11859134 | 0.76 | G6PD (0.48) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL31236603 | 0.76 | CES2 (0.37) | CES2CES1G6PDALDH1A1ALOX15 | |
| SCHEMBL11423428 | 0.74 | CES2 (0.35) | CES2CES1G6PDALDH1A1NPC1 | |
| SCHEMBL29463779 | 0.73 | CYP3A4 (0.43) | G6PDALDH1A1ALOX15NPC1RAB9A | |
| SCHEMBL9152680 | 0.73 | CYP3A4 (0.43) | G6PDALDH1A1ALOX15NPC1RAB9A | |
| SCHEMBL9151925 | 0.72 | G6PD (0.44) | CES2CES1G6PDALDH1A1ALOX15 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109796380-A | 2-allyl-3-sulfonyl-3-butenoate compound and preparation method thereof | 南京工业大学 | 2019-05-24 | — | — | CN | disclosed |
| CN-105906537-A | One-pot synthesis method of (Z)-type sulfonyl olefine acid ester compound | 湖南科技学院 | 2016-08-31 | — | — | CN | disclosed |
| EP-2229358-A1 | INDOLES AND THEIR THERAPEUTIC USE | Pulmagen Therapeutics (Asthma) Limited (GB) | 2010-09-22 | — | — | EP | disclosed |
| CN-101801962-A | Trisubstituted pyrimidine derivatives for the treatment of proliferative diseases | ASTRAZENECA AB | 2010-08-11 | — | — | CN | disclosed |
| EP-2074118-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | AstraZeneca AB (SE) | 2009-07-01 | — | — | EP | disclosed |
| WO-2009077728-A1 | INDOLES AND THEIR THERAPEUTIC USE | ARGENTA DISCOVERY LIMITED (GB) | 2009-06-25 | — | — | WO | disclosed |
| US-20090018134-A1 | Compounds - 945 | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | US | disclosed |
| WO-2009007748-A2 | TRISUBSTITUTED PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PROLIFERATIVE DISEASES | ASTRAZENECA AB (SE) | 2009-01-15 | — | — | WO | disclosed |
| CN-1902168-A | Novel 1, 3-disubstituted azetidine derivatives as 5-HT 2A receptor ligands | MERCK SHARP & DOHME (GB) | 2007-01-24 | — | — | CN | disclosed |
| US-7094777-B2 | 5-HT2A receptor ligands | MERK SHARP & DOHME LTD. | 2006-08-22 | — | — | US | disclosed |
| US-20050101586-A1 | Novel 5-HT2A receptor ligands | MERCK SHARP & DOHME LTD. (GB) | 2005-05-12 | — | — | US | disclosed |
| CN-1373112-A | Method for producing allyl halide | SUMITOMO CHEMICAL CO (JP) | 2002-10-09 | — | — | CN | disclosed |
| EP-1231197-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-08-14 | — | — | EP | disclosed |
| US-20020107422-A1 | Process for producing allyl halide compound | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2002-08-08 | — | — | US | disclosed |
| US-5100460-A | HERBICIDAL COMPOUNDS AND COMPOSITIONS CONTAINING THEM | RHONE-POULENC AGROCHIMIE (FR) | 1992-03-31 | — | — | US | disclosed |
| CN-1039805-A | Herbicidal compound and composition thereof | RHONE POULENC AGROCHIMIE (FR) | 1990-02-21 | — | — | CN | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050101586-A1 | Novel 5-HT2A receptor ligands | HTR2A, HTR1A, HTR5A | CES2 1068/4885CES1 1984/4885G6PD 2985/4885 |
| US-20090018134-A1 | Compounds - 945 | MTOR, PIK3CA, PIK3R5 | CES2 2150/4885CES1 2220/4885G6PD 550/4885 |
| US-20020107422-A1 | Process for producing allyl halide compound | ENY2, ZYX, RPS4Y1 | CES2 1967/4885CES1 1097/4885G6PD 3142/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.