Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CETP | P11597 | 1/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 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 | |
|---|---|---|---|---|
| SCHEMBL6902376 | 1.00 | GSK3B (0.48) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL19775232 | 0.82 | CA12 (0.51) | KMT2AALDH1A1MAPTLMNARAB9A | |
| SCHEMBL6904340 | 0.82 | GSK3B (0.50) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6900441 | 0.82 | GSK3B (0.50) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6900741 | 0.81 | TSHR (0.55) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6897949 | 0.81 | TSHR (0.55) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6897943 | 0.81 | TSHR (0.55) | GSK3BKMT2AALDH1A1MAPTLMNA | |
| SCHEMBL6900403 | 0.81 | HDAC3 (0.53) | GSK3BALDH1A1MAPTLMNARAB9A | |
| SCHEMBL6900410 | 0.81 | HDAC3 (0.53) | GSK3BALDH1A1MAPTLMNARAB9A | |
| Acetic Acid SCHEMBL10333511 | 0.81 | TSHR (0.50) | GSK3BKMT2AALDH1A1MAPTLMNA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7759497-B2 | Synthesis of diaryl pyrazoles | PFIZER INC. (US) | 2010-07-20 | — | — | US | disclosed |
| US-20070004924-A1 | such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol | PHARMACIA CORPORATION | 2007-01-04 | — | — | US | disclosed |
| US-6833468-B2 | Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing | CENTRAL GLASS COMPANY, LIMITED (JP) | 2004-12-21 | — | — | US | disclosed |
| US-6642409-B2 | Reacting an imine with a hemiacetal; hydrolysis under acid conditions | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-11-04 | — | — | US | disclosed |
| US-6639100-B2 | Baeyer-Villiger oxidation of an optically active 4,4,4-tri-fluoro-3-hydroxy-1-aryl-1-butanone; purification by precipitation and removing racemic crystals; agriculture; drugs; ferroelectric liquid crystals; chemical intermediates | CENTRAL GLASS COMPANY, LIMITED (JP) | 2003-10-28 | — | — | US | disclosed |
| US-20030100767-A1 | Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing | CENTRAL GLASS COMPANY, LIMITED | 2003-05-29 | — | — | US | disclosed |
| US-20030088095-A1 | Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. | CENTRAL GLASS COMPANY, LIMITED | 2003-05-08 | — | — | US | disclosed |
| US-20020016511-A1 | Reacting an imine with a hemiacetal; hydrolysis under acid conditions | CENTRAL GLASS COMPANY, LIMITED (JP) | 2002-02-07 | — | — | US | 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 (4 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-20030100767-A1 | Reacting an optically active imine with a compound that is a hemiacetal of a perfluoroalkylaldehyde or a hydrate of a perfluoroalkylaldehyde to obtain a condensate, hydrolyzing | ADH1C, ADH1A, HPD | GSK3B 1305/4885KMT2A 4162/4885ALDH1A1 31/4885 |
| US-20070004924-A1 | such as (4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazole-1-yl]benzenesulfonamide), celecoxib, via reacting 1,3-diketone and 4-sulfamidophenyl hydrazine halide salt in solvent system containing isopropanol | KHK, GCK, SYMPK | GSK3B 3815/4885KMT2A 1995/4885ALDH1A1 1197/4885 |
| US-20030088095-A1 | Reacting an optically active imine with a hemiacetal of a perfluoroalkylaldehyde or a hydrate; hydrolyzing the condensate under an acid condition. | ADH1C, ADH1A, HPD | GSK3B 1044/4885KMT2A 4098/4885ALDH1A1 25/4885 |
| US-20020016511-A1 | Reacting an imine with a hemiacetal; hydrolysis under acid conditions | ADH1C, ADH1A, HPD | GSK3B 888/4885KMT2A 3880/4885ALDH1A1 33/4885 |
“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.