Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.38 |
| ▸ | MAP4K1 | Q92918 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MYC | P01106 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | PSMD14 | O00487 | 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 | |
|---|---|---|---|---|
| SCHEMBL14300652 | 0.79 | CYP1A2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL8327704 | 0.78 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL14838247 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL6951341 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL21651845 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL368032 | 0.75 | CYP1A2 (0.45) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL22894708 | 0.75 | USP2 (0.40) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL15294552 | 0.74 | NR1H2 (0.48) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL4065436 | 0.73 | CNR2 (0.46) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 | |
| SCHEMBL6095249 | 0.73 | MAPT (0.47) | CYP1A2CYP3A4CYP2D6TSHRNR1H2 |
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-111655261-A | Acyclic CXCR4 inhibitors and uses thereof | X4 制药有限公司 | 2020-09-11 | — | — | CN | disclosed |