Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29836089 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| Hydrochloric Acid SCHEMBL28694708 | 0.98 | ALDH1A1 (0.46) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| Sulfuric Acid SCHEMBL30114767 | 0.90 | CES1 (0.41) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| SCHEMBL10437705 | 0.87 | CYP2A6 (0.45) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| SCHEMBL4488551 | 0.83 | ALDH1A1 (0.50) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| SCHEMBL6310183 | 0.80 | DYRK1A (0.38) | ALDH1A1HPGDKDM4ETSHR | |
| SCHEMBL1498003 | 0.79 | ALDH1A1 (0.59) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| SCHEMBL4495800 | 0.73 | TSHR (0.52) | ALDH1A1HPGDKDM4ECYP2A6MEN1 | |
| SCHEMBL12034389 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ECES1CYP2A6 | |
| SCHEMBL13950595 | 0.73 | ALDH1A1 (0.38) | ALDH1A1HPGDKDM4ECES1CYP2A6 |
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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110337454-A | Water-soluble composition, the manufacturing method of its solidfied material and its solidfied material and acyl group phosphinates | 株式会社ADEKA | 2019-10-15 | — | — | CN | disclosed |
| CN-107897194-A | Use of 5-phenyl-or 5-benzyl-2-isoxazoline-3-carboxylic acid esters for improving plant yield | 拜耳知识产权有限责任公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-104363879-B | cosmetic composition comprising composite particles | 莱雅公司 | 2018-01-30 | — | — | CN | disclosed |
| US-20170218353-A1 | Ligand-Directed Covalent Modification of Protein | CELGENE CAR LLC (BM) | 2017-08-03 | — | — | US | disclosed |
| US-20110269244-A1 | LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN | CELGENE CAR LLC (BM) | 2011-11-03 | — | — | US | disclosed |
| US-7482100-B2 | Electrolyte for lithium battery and lithium battery comprising same | SAMSUNG SDI CO., LTD. (KR) | 2009-01-27 | — | — | US | disclosed |
| US-7482100-B2 | Electrolyte for lithium battery and lithium battery comprising same | SAMSUNG SDI CO., LTD. (KR) | 2009-01-27 | — | — | US | disclosed |
| WO-2005000784-A2 | 5-[PHENYL, TETRAHYDRONAPHTHALENE-2-YL DIHYDRONAPHTHALEN-2-YL AND HETEROARYL- CYCLOPROPYL]-PENTADIENOIC ACID DERIVATIVES HAVING SERUM GLUCOSE REDUCING ACTIVITY | ALLERGAN, INC. (US) | 2005-01-06 | — | — | WO | disclosed |
| US-5717094-A | 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS | ALLERGAN (US) | 1998-02-10 | — | — | US | disclosed |
| US-5677323-A | SKIN DISORDERS, PSORIASIS | ALLERGAN (US) | 1997-10-14 | — | — | US | disclosed |
| WO-1992014725-A1 | CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY | ALLERGAN, INC. (US) | 1992-09-03 | — | — | WO | disclosed |
| WO-1992006084-A1 | CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |
| WO-1992006092-A1 | ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY | ALLERGAN, INC. (US) | 1992-04-16 | — | — | WO | disclosed |
| US-5053523-A | Chemical intermediate for compounds having retinoic acid-like activity | ALLERGAN, INC. (US) | 1991-10-01 | — | — | US | disclosed |
| US-5045551-A | Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-09-03 | — | — | US | disclosed |
| US-5023341-A | Acetylene thiochroman | ALLERGAN, INC. (US) | 1991-06-11 | — | — | US | disclosed |
| EP-0419132-A2 | Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| EP-0419130-A2 | Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| EP-0419131-A2 | Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity | ALLERGAN, INC. (US) | 1991-03-27 | — | — | EP | disclosed |
| US-4980369-A | ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS | ALLERGAN, INC. (US) | 1990-12-25 | — | — | 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 (2 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-20110269244-A1 | LIGAND-DIRECTED COVALENT MODIFICATION OF PROTEIN | PTMS, SPR, DNPEP | ALDH1A1 719/4885HPGD 638/4885KDM4E 1517/4885 |
| US-20170218353-A1 | Ligand-Directed Covalent Modification of Protein | PTMS, SPR, DNPEP | ALDH1A1 719/4885HPGD 638/4885KDM4E 1517/4885 |
“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.