Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ECE1 | P42892 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.35 |
| ▸ | ITGAV | P06756 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.33 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 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 | |
|---|---|---|---|---|
| Pyrimidine SCHEMBL20898447 | 0.89 | LMNA (0.45) | RECQLLMNAKDM4ECA1CA2 | |
| SCHEMBL440563 | 0.82 | — | — | |
| SCHEMBL21114363 | 0.82 | ECE1 (0.50) | ECE1LMNAL3MBTL1KDM4EITGB3 | |
| Pyrimidine SCHEMBL28058723 | 0.75 | CYP1A2 (0.53) | RECQLLMNAKDM4ECA2CYP1A2 | |
| Pyrimidine SCHEMBL28939712 | 0.75 | NAAA (0.47) | KDM4E | |
| Glutarate SCHEMBL9397423 | 0.73 | SLC22A6 (0.55) | LMNATBXAS1 | |
| Malonic Acid SCHEMBL27784505 | 0.73 | LDHA (0.50) | KMT2ACYP1A2CYP2C9CYP2C19TBXAS1 | |
| Malonic Acid SCHEMBL27784506 | 0.73 | LDHA (0.50) | KMT2ACYP1A2CYP2C9CYP2C19TBXAS1 | |
| Pyrimidine SCHEMBL1150634 | 0.72 | F7 (0.46) | RECQL | |
| Pyrimidine SCHEMBL28643613 | 0.72 | F7 (0.46) | RECQL |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3694646-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | Metabolon, Inc. (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2019074757-A1 | A STREAMLINED METHOD FOR ANALYTICAL VALIDATION OF BIOCHEMICALS DETECTED USING AN UNTARGETED MASS-SPECTROMETRY PLATFORM | METABOLON, INC. (US) | 2019-04-18 | — | — | WO | disclosed |