Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | RECQL | P46063 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | MAPT | P10636 | 3/20 | 0.52 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.52 |
| ▸ | ESR1 | P03372 | 1/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | GSK3B | P49841 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | OGG1 | O15527 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL28480633 | 0.98 | ALDH1A1 (0.56) | ALDH1A1MAPK1TDP1CES2CES1 | |
| SCHEMBL222221 | 0.87 | ALDH1A1 (0.74) | ALDH1A1MAPK1TDP1RAB9ALMNA | |
| Water SCHEMBL11592742 | 0.84 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1RAB9ALMNA | |
| Water SCHEMBL11592745 | 0.84 | ALDH1A1 (0.70) | ALDH1A1MAPK1TDP1RAB9ALMNA | |
| SCHEMBL8586818 | 0.82 | RAB9A (0.67) | ALDH1A1TDP1CES2CES1RAB9A | |
| SCHEMBL8586821 | 0.82 | RAB9A (0.67) | ALDH1A1TDP1CES2CES1RAB9A | |
| Xenygloxal SCHEMBL2110325 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1RAB9ALMNA | |
| SCHEMBL11530261 | 0.79 | ALDH1A1 (0.64) | ALDH1A1MAPK1TDP1RAB9ALMNA | |
| SCHEMBL28128609 | 0.79 | ALDH1A1 (0.46) | ALDH1A1MAPK1TDP1CES2CES1 | |
| SCHEMBL8864790 | 0.78 | ALDH5A1 (0.64) | ALDH1A1MAPK1TDP1CES2CES1 |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117417248-A | Molecular-level monolayer hydrophilic graphene quantum dot and preparation method thereof | 武汉科技大学 | 2024-01-19 | — | — | CN | claimed |
| CN-115947911-B | Diketimine-linked covalent organic framework polymer material and preparation method thereof | 天津大学 | 2023-05-23 | — | — | CN | claimed |
| CN-115947911-A | Diketimine-linked covalent organic framework high polymer material and preparation method thereof | 天津大学 | 2023-04-11 | — | — | CN | claimed |
| CN-113512073-A | Synthesis of novel non-doped nickel-based metal organic complex hole transport material and application of novel non-doped nickel-based metal organic complex hole transport material in perovskite type solar cell | 云南大学 | 2021-10-19 | — | — | CN | claimed |
| US-12195450-B2 | Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors | THE JOHNS HOPKINS UNIVERSITY (US) | 2025-01-14 | — | — | US | disclosed |
| WO-2024249950-A1 | FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN | BIOMEA FUSION, INC. (US) | 2024-12-05 | — | — | WO | disclosed |
| CN-118994018-A | Synthesis method of 1,3, 4-triarylimidazole thioketone derivative | 江苏建筑职业技术学院 | 2024-11-22 | — | — | CN | disclosed |
| CN-115521196-B | Method for preparing alpha-hydroxy ketone compound by using water as hydrogen source | 云南民族大学 | 2024-03-29 | — | — | CN | disclosed |
| CN-117510478-A | Design, synthesis and application of organic photocatalyst based on pyrazine and quinoxaline skeleton | 瑞博(苏州)制药有限公司 | 2024-02-06 | — | — | CN | disclosed |
| CN-117417248-A | Molecular-level monolayer hydrophilic graphene quantum dot and preparation method thereof | 武汉科技大学 | 2024-01-19 | — | — | CN | disclosed |
| CN-115504946-B | Method for synthesizing alpha-ketoamide compound | 武汉工程大学 | 2023-12-15 | — | — | CN | disclosed |
| CN-111995591-B | Dicyanopyrazine compound, light-emitting material, and light-emitting element using same | 国立大学法人九州大学 | 2023-12-08 | — | — | CN | disclosed |
| US-20050075340-A1 | Triazolotriazine compounds and uses thereof | SUGEN, INC. | 2005-04-07 | — | — | US | disclosed |
| WO-2005010005-A1 | TRIAZOLOTRIAZINE COMPOUNDS AND USES THEREOF | SUGEN, INC. (US) | 2005-02-03 | — | — | WO | disclosed |
| WO-2003052053-A2 | NUCLEOSIDE LIBRARIES AND COMPOUNDS BY MCC COMBINATORIAL STRATEGIES ON SOLID SUPPORT | RIBAPHARM INC. (US) | 2003-06-26 | — | — | WO | disclosed |
| WO-2002085369-A1 | INHIBITORS OF ANTHRAX LETHAL FACTOR ACTIVITY | STRUCTURAL BIOINFORMATICS, INC. (US) | 2002-10-31 | — | — | WO | disclosed |
| US-6436933-B1 | 1-HYDROXY-3-(2-METHYLPROPYL)-5,6-DIPHENYLHYDROPYRAZIN-2-ONE | STRUCTURAL BIOINFORMATICS INC. | 2002-08-20 | — | — | US | disclosed |
| CN-1349514-A | Triazine derivatives having insecticidal activity | SINGENTA PARTICIPATION AG (CH) | 2002-05-15 | — | — | CN | disclosed |
| US-4071570-A | ANTIARRHYTHMIC AGENTS | MERCK & CO., INC. (US) | 1978-01-31 | — | — | US | disclosed |
| US-3978127-A | ANTIARRHYTHMIC | MERCK & CO., INC. (US) | 1976-08-31 | — | — | 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-12195450-B2 | Small molecule neutral sphingomyelinase 2 (nSMase2) inhibitors | SMPD2, SPTLC2, SGMS2 | ALDH1A1 3995/4885MAPK1 1963/4885TDP1 826/4885 |
| US-20050075340-A1 | Triazolotriazine compounds and uses thereof | MET, TPMT, RET | ALDH1A1 439/4885MAPK1 2029/4885TDP1 3239/4885 |
“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.