Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 5/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 5/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | ACACB | O00763 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | FPR2 | P25090 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.38 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9493972 | 0.79 | SRC (0.54) | AKR1C3AKR1C2MMP2MMP9ACACB | |
| SCHEMBL2810556 | 0.78 | LMNA (0.56) | AKR1C3AKR1C2MMP2MMP9ACACB | |
| SCHEMBL3672650 | 0.78 | AKR1C3 (0.71) | AKR1C3AKR1C2ACACBFPR2ALDH1A1 | |
| SCHEMBL23053348 | 0.78 | LMNA (0.56) | AKR1C3AKR1C2MMP2MMP9ACACB | |
| SCHEMBL28140063 | 0.77 | CYP2C9 (0.48) | MEN1KMT2AALDH1A1KIF11LMNA | |
| SCHEMBL2399005 | 0.77 | KEAP1 (0.53) | AKR1C3AKR1C2ALDH1A1LMNA | |
| SCHEMBL6180785 | 0.77 | ALDH1A1 (0.44) | AKR1C3AKR1C2ACACBSLC6A4MEN1 | |
| SCHEMBL10892238 | 0.77 | ALDH1A1 (0.40) | AKR1C3AKR1C2MEN1KMT2AALDH1A1 | |
| SCHEMBL29009777 | 0.76 | SRC (0.38) | LMNA | |
| SCHEMBL11686501 | 0.76 | SLC6A4 (0.50) | AKR1C3AKR1C2ACACBSLC6A4PLK1 |
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-115073250-A | Based on sp 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluorocarboxylic acid compound by virtue of carbon-fluorine bond carboxylation reaction | 四川大学 | 2022-09-20 | — | — | CN | disclosed |