Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | UNG | P13051 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL727874 | 0.83 | TYR (0.56) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL30291836 | 0.83 | TYR (0.56) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL4951093 | 0.83 | ALDH1A1 (0.54) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL8769118 | 0.80 | TP53 (0.50) | ALDH1A1TDP1TSHR | |
| SCHEMBL27992416 | 0.80 | ALDH1A1 (0.50) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL31124696 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL2263076 | 0.79 | ALDH1A1 (0.48) | ALDH1A1TYRUNGCYP2A6SRC | |
| SCHEMBL20931111 | 0.78 | CNR2 (0.37) | ALDH1A1TYRMAOAMAOBCA1 | |
| Benzene SCHEMBL28222842 | 0.78 | UNG (0.44) | ALDH1A1TYRUNGCYP2A6EGFR | |
| SCHEMBL8897527 | 0.78 | HDAC4 (0.37) | ALDH1A1TYRCA1CA2CA9 |
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-110627610-B | Method for synthesizing alkyne by catalyzing asymmetric cross coupling | 南方科技大学 | 2022-07-05 | — | — | CN | disclosed |