Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KMO | O15229 | 2/20 | 0.46 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.43 |
| ▸ | IP6K3 | Q96PC2 | 1/20 | 0.43 |
| ▸ | IP6K2 | Q9UHH9 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL24951717 | 1.00 | ALDH1A1 (0.52) | ALDH1A1KDM4ESLC9A1CYP1A2CYP2C19 | |
| SCHEMBL28630464 | 0.87 | CYP1A2 (0.49) | ALDH1A1KDM4ESLC9A1CYP1A2CYP2C19 | |
| SCHEMBL595184 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4ESMN1; SMN2 | |
| SCHEMBL14680526 | 0.84 | ALDH1A1 (0.54) | ALDH1A1KDM4ESLC9A1CYP1A2CYP2C19 | |
| SCHEMBL5860864 | 0.84 | FFAR1 (0.46) | ALDH1A1KDM4ECYP1A2CYP2C19CYP1A1 | |
| SCHEMBL14050010 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KDM4E | |
| SCHEMBL31223858 | 0.81 | DHODH (0.47) | — | |
| SCHEMBL31223798 | 0.81 | ALDH1A1 (0.52) | ALDH1A1KDM4ESLC9A1CYP2C19SMN1; SMN2 | |
| SCHEMBL31223833 | 0.81 | XDH (0.51) | ALDH1A1KDM4ENOTUMXDHPIN1 | |
| SCHEMBL28634220 | 0.81 | XDH (0.51) | ALDH1A1KDM4ENOTUMXDHPIN1 |
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-113444081-B | Thiadiazole carboxamide compounds and application thereof | 浙江大学 | 2022-07-05 | — | — | CN | disclosed |