Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.39 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.39 |
| ▸ | PYGL | P06737 | 1/20 | 0.38 |
| ▸ | BRD4 | O60885 | 1/20 | 0.38 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24869541 | 0.86 | KIF11 (0.46) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL24869534 | 0.85 | HPGD (0.45) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL13518900 | 0.84 | RAB9A (0.40) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL6780237 | 0.82 | ALDH1A1 (0.46) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL22628682 | 0.80 | NPC1 (0.47) | RAB9ACYP1A2CYP2C19KDM4EALDH1A1 | |
| SCHEMBL26757332 | 0.80 | MAP2K1 (0.46) | RAB9ACYP1A2CYP2C19ALDH1A1NPC1 | |
| SCHEMBL9807561 | 0.79 | MAP2K1 (0.54) | ALDH1A1SMN1; SMN2MAP2K1 | |
| SCHEMBL2766810 | 0.79 | KCNJ11 (0.48) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL5544752 | 0.79 | CYP1A2 (0.56) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E | |
| SCHEMBL13483657 | 0.79 | MAPT (0.55) | RAB9ACYP1A2CYP2C19CYP2D6KDM4E |
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-2023279986-A1 | SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF | 贝达药业股份有限公司 | 2023-01-12 | — | — | WO | disclosed |