Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.48 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.44 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.34 |
| ▸ | CD44 | P16070 | 1/20 | 0.34 |
| ▸ | HTR5A | P47898 | 3/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR7 | P34969 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | CASP7 | P55210 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764379 | 0.85 | ALDH1A1 (0.47) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL78160 | 0.83 | CYP1A2 (0.43) | ALDH1A1TSHRCYP3A4CYP1A2CYP2A6 | |
| SCHEMBL9253214 | 0.83 | CYP3A4 (0.48) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL5116215 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL7753488 | 0.83 | ALDH1A1 (0.48) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL30233483 | 0.77 | TSHR (0.48) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL3786889 | 0.77 | TSHR (0.48) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| Hydrochloric Acid SCHEMBL4725830 | 0.76 | TSHR (0.46) | ALDH1A1TSHRNR4A2CYP3A4PIK3CA | |
| SCHEMBL803041 | 0.74 | GABRA1 (0.40) | ALDH1A1TSHRCYP1A2CYP2A6HTR2C | |
| SCHEMBL9607578 | 0.74 | CD44 (0.52) | ALDH1A1TSHRCYP3A4PIK3CAHPGD |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210002233-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | SUMITOMO PHARMA ONCOLOGY, INC. | 2021-01-07 | — | — | US | disclosed |
| US-20200237766-A1 | PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER | SUMITOMO PHARMA ONCOLOGY, INC. | 2020-07-30 | — | — | US | disclosed |
| US-10472328-B2 | PKM2 modulators and methods for their use | TOLERO PHARMACEUTICALS, INC. (US) | 2019-11-12 | — | — | US | disclosed |
| US-20190119219-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | SUMITOMO PHARMA ONCOLOGY, INC. | 2019-04-25 | — | — | US | disclosed |
| US-20170015631-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | SUMITOMO PHARMA ONCOLOGY, INC. | 2017-01-19 | — | — | US | disclosed |
| US-20170015631-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | SUMITOMO PHARMA ONCOLOGY, INC. | 2017-01-19 | — | — | US | disclosed |
| US-9394257-B2 | PKM2 modulators and methods for their use | TOLERO PHARMACEUTICALS, INC. (US) | 2016-07-19 | — | — | US | disclosed |
| US-20150344436-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | SUMITOMO PHARMA ONCOLOGY, INC. | 2015-12-03 | — | — | US | disclosed |
| US-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | MERCK & CO., INC. (US) | 2012-05-31 | — | — | US | disclosed |
| US-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 2010-04-08 | — | — | US | disclosed |
| EP-1914221-A1 | PROCESS FOR PRODUCING BIARYL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2008-04-23 | — | — | EP | 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 (8 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-20100087680-A1 | METHOD FOR PRODUCING BIARYL COMPOUND | NISCH, BLVRB, BBOX1 | ALDH1A1 4339/4885TSHR 1688/4885NR4A2 888/4885 |
| US-10472328-B2 | PKM2 modulators and methods for their use | PDK1, PDK2, PKM | ALDH1A1 2333/4885TSHR 249/4885NR4A2 1506/4885 |
| US-20170015631-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | PDK1, PDK2, PKM | ALDH1A1 2333/4885TSHR 249/4885NR4A2 1506/4885 |
| US-20120135975-A1 | Substituted Esters as Cannabinoid-1 Receptor Modulators | CNR1, CNR2, FAAH | ALDH1A1 2986/4885TSHR 768/4885NR4A2 1027/4885 |
| US-20200237766-A1 | PKM2 ACTIVATORS IN COMBINATION WITH REACTIVE OXYGEN SPECIES FOR TREATMENT OF CANCER | PDK1, PDK2, PCK2 | ALDH1A1 978/4885TSHR 1094/4885NR4A2 2841/4885 |
| US-20190119219-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | PDK1, PDK2, PKM | ALDH1A1 2333/4885TSHR 249/4885NR4A2 1506/4885 |
| US-20210002233-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | PDK1, PDK2, PKM | ALDH1A1 2333/4885TSHR 249/4885NR4A2 1506/4885 |
| US-20150344436-A1 | PKM2 MODULATORS AND METHODS FOR THEIR USE | PDK1, PDK2, PKM | ALDH1A1 2333/4885TSHR 249/4885NR4A2 1506/4885 |
“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.