Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CPB1 | P15086 | 1/20 | 0.33 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.33 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.30 |
| ▸ | CPT2 | P23786 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4088521 | 0.82 | ALDH1A1 (0.39) | KDM4EALDH1A1NAALAD2FFAR1CPT2 | |
| SCHEMBL12698269 | 0.81 | KDM4E (0.45) | KDM4ECYP2D6 | |
| Hydrochloric Acid SCHEMBL17142804 | 0.80 | KDM4E (0.38) | KDM4EALDH1A1NAALAD2 | |
| SCHEMBL1993072 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL20531926 | 0.78 | KDM4E (0.44) | KDM4ECYP2D6ALDH1A1NAALAD2 | |
| SCHEMBL27523081 | 0.77 | ODC1 (0.39) | KDM4ECYP2D6ALDH1A1 | |
| SCHEMBL10501371 | 0.75 | ALDH1A1 (0.38) | CYP2D6ALDH1A1CPB2FFAR1CPT2 | |
| SCHEMBL27936489 | 0.73 | ALDH1A1 (0.40) | CYP2D6ALDH1A1CPB2FFAR1CPT2 | |
| SCHEMBL4915330 | 0.73 | ALDH1A1 (0.39) | ALDH1A1NAALAD2FFAR1CPT2TDP1 | |
| SCHEMBL6729367 | 0.73 | ALDH1A1 (0.59) | KDM4EALDH1A1NAALAD2TDP1 |
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-102485721-B | 2，3-benzodiazine ketone compound replaced and uses thereof | CAO YA (CN) | 2015-12-09 | — | — | CN | disclosed |