Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | RXRA | P19793 | 1/20 | 0.40 |
| ▸ | RXRB | P28702 | 1/20 | 0.40 |
| ▸ | RXRG | P48443 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | RBP4 | P02753 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4079803 | 0.80 | TDP1 (0.44) | KDM4EALDH1A1GAARXRARXRB | |
| SCHEMBL11466585 | 0.80 | TDP1 (0.58) | KDM4EALDH1A1GAARXRARXRB | |
| SCHEMBL11973390 | 0.78 | TDP1 (0.45) | KDM4EALDH1A1GAARXRARXRB | |
| SCHEMBL28561795 | 0.78 | TDP1 (0.42) | KDM4EALDH1A1GAARXRARXRB | |
| SCHEMBL27635850 | 0.74 | MEN1 (0.45) | ALDH1A1GAATDP1ATMMEN1 | |
| SCHEMBL28922308 | 0.73 | CYP4F2 (0.31) | — | |
| SCHEMBL2207015 | 0.72 | ALOX15 (0.42) | KDM4EALDH1A1RXRARXRBRXRG | |
| SCHEMBL30945831 | 0.70 | MEN1 (0.41) | ALDH1A1NPSR1MEN1KMT2AMAPT | |
| SCHEMBL1840665 | 0.70 | MEN1 (0.41) | ALDH1A1NPSR1MEN1KMT2AMAPT | |
| SCHEMBL29032354 | 0.70 | ATM (0.36) | KDM4EALDH1A1GAARXRARXRB |
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-110891951-B | Compounds of formula (I) | 谢菲尔德大学 | 2024-08-20 | — | — | CN | disclosed |