Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29769180 | 1.00 | KDM4E (0.32) | KDM4EALDH1A1POLBCYP2C9 | |
| SCHEMBL10998306 | 0.73 | AR (0.33) | POLBCYP2C9 | |
| SCHEMBL9228666 | 0.72 | GRIN2D (0.36) | KDM4EALDH1A1POLBCYP2C9 | |
| SCHEMBL29769097 | 0.70 | ADORA2A (0.39) | KDM4EALDH1A1CYP2C9 | |
| SCHEMBL24629442 | 0.70 | MAPT (0.34) | KDM4EALDH1A1 | |
| SCHEMBL24629890 | 0.70 | ADORA2A (0.39) | KDM4EALDH1A1CYP2C9 | |
| SCHEMBL24500838 | 0.69 | XDH (0.36) | ALDH1A1POLBCYP2C9 | |
| SCHEMBL31667203 | 0.69 | POLB (0.31) | POLBCYP2C9 | |
| SCHEMBL1017993 | 0.69 | ALDH1A1 (0.38) | KDM4EALDH1A1POLBCYP2C9 | |
| SCHEMBL24630124 | 0.69 | KDM4E (0.31) | KDM4EALDH1A1 |
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-2022150574-A1 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |