Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | DUT | P33316 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 3/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR7 | P34969 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL25366880 | 1.00 | CYP1A2 (0.42) | CYP1A2CYP2D6CYP2C19ALDH1A1DUT | |
| SCHEMBL30561530 | 0.90 | KDM4E (0.50) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL29080709 | 0.90 | KDM4E (0.50) | CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E | |
| SCHEMBL21593984 | 0.83 | CARM1 (0.36) | DUTDRD2DRD3 | |
| SCHEMBL17797689 | 0.83 | NR1H2 (0.37) | DUT | |
| SCHEMBL30541933 | 0.82 | TDP1 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL22527601 | 0.82 | TDP1 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL17797610 | 0.78 | DRD2 (0.42) | ALDH1A1DUTKDM4EMEN1KMT2A | |
| SCHEMBL7800083 | 0.78 | HRH3 (0.41) | CYP1A2CYP2D6CYP2C19KDM4EMEN1 | |
| SCHEMBL21593986 | 0.76 | TMEM97 (0.45) | HTR1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-116568675-A | Cyclic isothiourea derivatives as CXCR4 modulators | 埃尔米乌治疗公司 | 2023-08-08 | — | — | CN | disclosed |