Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.62 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.55 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL21198909 | 1.00 | CYP1A2 (0.62) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL25873500 | 0.90 | CYP2D6 (0.58) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL30946637 | 0.88 | CYP2D6 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL21198940 | 0.88 | CYP2D6 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL27958219 | 0.80 | CYP2D6 (0.66) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL20303884 | 0.77 | ALDH1A1 (0.50) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL25873499 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL29971032 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL26128790 | 0.77 | CYP1A2 (0.56) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 | |
| SCHEMBL21199087 | 0.76 | CYP2D6 (0.54) | CYP1A2CYP2D6CYP2C19KDM4EALDH1A1 |
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-112312909-B | Compounds for the treatment of kinase dependent disorders | 埃克塞里艾克西斯公司 | 2024-07-02 | — | — | CN | disclosed |