Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C8 | P10632 | 2/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 6/20 | 0.47 |
| ▸ | RAB9A | P51151 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.43 |
| ▸ | CTSB | P07858 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25318311 | 0.99 | CYP1A2 (0.56) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL25317969 | 0.97 | CYP1A2 (0.51) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL25319924 | 0.94 | CYP1A2 (0.53) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL28720179 | 0.89 | CYP1A2 (0.57) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL28722639 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL28723328 | 0.86 | CYP1A2 (0.54) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL29135339 | 0.83 | CYP1A2 (0.56) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL31325565 | 0.80 | RAB9A (0.66) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 | |
| SCHEMBL8628385 | 0.75 | AAK1 (0.59) | RECQLKDM4C | |
| SCHEMBL31325567 | 0.75 | RAB9A (0.67) | CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023137885-A1 | COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND | 中国药科大学 | 2023-07-27 | — | — | WO | disclosed |