Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.69 |
| ▸ | NPC1 | O15118 | 1/20 | 0.69 |
| ▸ | MAPT | P10636 | 1/20 | 0.69 |
| ▸ | RAB9A | P51151 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 4/20 | 0.65 |
| ▸ | TSHR | P16473 | 4/20 | 0.65 |
| ▸ | LMNA | P02545 | 3/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.65 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.65 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.65 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.63 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.63 |
| ▸ | STS | P08842 | 6/20 | 0.60 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL3386629 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL28524896 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL29196107 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL16422182 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL15962622 | 0.98 | ALDH1A1 (0.71) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL5028692 | 0.95 | ESR1 (0.72) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL17737140 | 0.94 | ALDH1A1 (0.66) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL1994995 | 0.91 | ALDH1A1 (0.80) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL3382065 | 0.90 | ALDH1A1 (0.61) | ALDH1A1NPC1MAPTRAB9AESR1 | |
| SCHEMBL20464819 | 0.90 | NPC1 (0.61) | ALDH1A1NPC1MAPTRAB9AESR1 |
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-112321619-B | 8- (diphenylethynyl) -ester group-containing boron-fluorine pyrrole compound and synthesis and application thereof | 大连理工大学 | 2022-02-25 | — | — | CN | claimed |
| CN-112321619-A | 8- (diphenylethynyl) -ester group-containing boron-fluorine pyrrole compound and synthesis and application thereof | 大连理工大学 | 2021-02-05 | — | — | CN | claimed |