Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP4F2 | P78329 | 3/20 | 0.44 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.35 |
| ▸ | CPT2 | P23786 | 1/20 | 0.35 |
| ▸ | ARG2 | P78540 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.31 |
| ▸ | FNTA | P49354 | 1/20 | 0.31 |
| ▸ | FNTB | P49356 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL25319811 | 0.98 | CYP4F2 (0.41) | CYP4F2CYP4A11ALDH1A1TDP1FFAR1 | |
| SCHEMBL4915330 | 0.84 | ALDH1A1 (0.39) | CYP4F2CYP4A11ALDH1A1TDP1FFAR1 | |
| SCHEMBL10501371 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR1CPT2THRB | |
| SCHEMBL504094 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR1CPT2THRB | |
| SCHEMBL9718559 | 0.81 | ALDH1A1 (0.38) | ALDH1A1TDP1FFAR1CPT2THRB | |
| SCHEMBL29138679 | 0.81 | ALDH1A1 (0.47) | ALDH1A1TDP1FFAR1GPR84FFAR4 | |
| SCHEMBL27312162 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TDP1GPR84 | |
| SCHEMBL27936489 | 0.79 | ALDH1A1 (0.40) | ALDH1A1TDP1FFAR1CPT2THRB | |
| SCHEMBL29145853 | 0.79 | ALDH1A1 (0.37) | ALDH1A1TDP1FFAR1CPT2THRB | |
| SCHEMBL19873883 | 0.78 | ALDH1A1 (0.39) | ALDH1A1TDP1FFAR1CPT2NAALAD2 |
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-107849025-A | For treating the CHK1/2 inhibitor of neuroblastoma and/or soft tissue sarcoma | 伊莱利利公司 | 2018-03-27 | — | — | CN | disclosed |