Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 3/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 SCHEMBL20898596 | 0.89 | RECQL (0.41) | LMNACYP1A2CYP2C9CYP2C19KDM4E | |
| SCHEMBL2035521 | 0.83 | PRMT1 (0.54) | LMNACYP1A2ATMALDH1A1PRMT1 | |
| Pyrimidine SCHEMBL28939712 | 0.79 | NAAA (0.47) | KDM4EALDH1A1HTT | |
| Glutarate SCHEMBL9397423 | 0.79 | SLC22A6 (0.55) | LMNATBXAS1ADRA1AMAPK1 | |
| SCHEMBL2172441 | 0.77 | PRMT1 (0.64) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL9307514 | 0.75 | PRMT1 (0.68) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL11039434 | 0.75 | PRMT1 (0.68) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL2028710 | 0.75 | PRMT1 (0.68) | LMNACYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Oxybate SCHEMBL9397419 | 0.74 | CAMK2A (0.61) | LMNATBXAS1 | |
| Pyrimidine SCHEMBL28058723 | 0.72 | CYP1A2 (0.53) | LMNACYP1A2CYP2C9CYP2C19KDM4E |
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 |