Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.56 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | HPGD | P15428 | 5/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.51 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.51 |
| ▸ | ELANE | P08246 | 2/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.51 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL10022962 | 0.83 | ALDH1A1 (0.61) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL11698993 | 0.83 | ALDH1A1 (0.61) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL50522 | 0.83 | ALDH1A1 (0.61) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL17816171 | 0.83 | MAPT (0.70) | ALDH1A1SMN1; SMN2HPGDPTGS1PTGS2 | |
| SCHEMBL28587552 | 0.82 | ALDH1A1 (0.58) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| SCHEMBL5211118 | 0.81 | TSHR (0.55) | ALDH1A1SRD5A2SMN1; SMN2HPGDKMT2A | |
| SCHEMBL465683 | 0.81 | ALDH1A1 (0.52) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 | |
| Bicarbonate SCHEMBL28309384 | 0.81 | CYP2D6 (0.48) | PTGS2LMNAMAPK1HIF1ANPC1 | |
| Benzophenone SCHEMBL27777844 | 0.80 | ALDH1A1 (0.78) | ALDH1A1SRD5A2SMN1; SMN2HPGDLMNA | |
| SCHEMBL677887 | 0.80 | ALDH1A1 (0.56) | ALDH1A1SRD5A2SMN1; SMN2HPGDPTGS1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115141138-B | Method for constructing fluoride by decarboxylation of alkyl carboxylic acid | 中山大学 | 2023-11-28 | — | — | CN | disclosed |
| CN-115141138-A | Method for constructing fluoride by decarboxylation of alkyl carboxylic acid | 中山大学 | 2022-10-04 | — | — | CN | disclosed |