Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LNPEP | Q9UIQ6 | 1/20 | 0.35 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.35 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.35 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5140898 | 0.80 | CYP1A2 (0.48) | KDM4ECYP1A2MMP8ALDH1A1SMN1; SMN2 | |
| SCHEMBL21541959 | 0.79 | SHMT1 (0.42) | KDM4ECYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL20669564 | 0.77 | ALDH1A1 (0.39) | KDM4ECYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL30163570 | 0.77 | MEN1 (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL9952026 | 0.77 | MEN1 (0.44) | KDM4EMAPTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL24369218 | 0.75 | ALDH1A1 (0.37) | KDM4ECYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL31422404 | 0.75 | PPARA (0.47) | KDM4ECYP1A2CYP3A4ALDH1A1SMN1; SMN2 | |
| SCHEMBL10237568 | 0.74 | RIPK1 (0.50) | MAPTMMP8ALDH1A1PPARAL3MBTL1 | |
| SCHEMBL17709821 | 0.74 | MMP8 (0.43) | KDM4ECYP1A2CYP2C9CYP2C19CYP3A4 | |
| SCHEMBL16737338 | 0.74 | CYP4F2 (0.45) | KDM4ECYP1A2CYP2C19CYP3A4MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3212641-B1 | THIAZOLES AS MODULATORS OF RORYT | JANSSEN PHARMACEUTICA NV (BE) | 2018-12-05 | — | — | EP | disclosed |