Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.44 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | PLK1 | P53350 | 3/20 | 0.43 |
| ▸ | PTPN11 | Q06124 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | SLC37A4 | O43826 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11288233 | 1.00 | ALDH1A1 (0.55) | ALDH1A1PRSS1PRSS2PRSS3KDM4E | |
| SCHEMBL11294874 | 1.00 | ALDH1A1 (0.55) | ALDH1A1PRSS1PRSS2PRSS3KDM4E | |
| SCHEMBL11291690 | 1.00 | ALDH1A1 (0.55) | ALDH1A1PRSS1PRSS2PRSS3KDM4E | |
| SCHEMBL5511986 | 0.98 | ALDH1A1 (0.52) | ALDH1A1PRSS1PRSS2PRSS3KDM4E | |
| SCHEMBL503906 | 0.94 | KMT2A (0.48) | ALDH1A1KDM4EMEN1RECQLKMT2A | |
| SCHEMBL10944016 | 0.90 | ALDH1A1 (0.47) | ALDH1A1PRSS1PRSS2PRSS3CYSLTR2 | |
| SCHEMBL10949570 | 0.90 | ALDH1A1 (0.47) | ALDH1A1PRSS1PRSS2PRSS3CYSLTR2 | |
| SCHEMBL10943238 | 0.90 | ALDH1A1 (0.47) | ALDH1A1PRSS1PRSS2PRSS3CYSLTR2 | |
| SCHEMBL10942047 | 0.90 | ALDH1A1 (0.47) | ALDH1A1PRSS1PRSS2PRSS3CYSLTR2 | |
| SCHEMBL10941152 | 0.87 | ALDH1A1 (0.45) | ALDH1A1PRSS1PRSS2PRSS3CYSLTR2 |
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-101076325-A | Pharmaceutical composition comprising edible carboxylic acid and/or its acid salt and caffeine, and coffee free from addiction | XIAO XINGREN (CN) | 2007-11-21 | — | — | CN | disclosed |