Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
| ▸ | GABRD | O14764 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8884008 | 1.00 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL4338257 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL164287 | 0.81 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL17440722 | 0.80 | MRGPRX4 (0.43) | CYP1A2MAPTALDH1A1SMN1; SMN2NPSR1 | |
| SCHEMBL14825220 | 0.80 | CYP1A2 (0.49) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL6202564 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL3697022 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL12228820 | 0.79 | CYP1A2 (0.51) | CYP1A2CYP2C19CYP2C9MAPTALDH1A1 | |
| SCHEMBL29911292 | 0.76 | CYP1A2 (0.77) | CYP1A2MAPTALDH1A1NPC1RAB9A | |
| SCHEMBL198054 | 0.76 | CYP1A2 (0.77) | CYP1A2MAPTALDH1A1NPC1RAB9A |
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-118684631-A | External nucleotide pyrophosphatase/phosphodiesterase 1 (ENPP 1) inhibitors, compositions and uses thereof | 中国科学院上海药物研究所 | 2024-09-24 | — | — | CN | disclosed |