Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA1 | P00915 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA7 | P43166 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.42 |
| ▸ | AHR | P35869 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30079550 | 1.00 | ALDH1A1 (0.48) | ALDH1A1P2RX7MAPTCA12CA1 | |
| SCHEMBL6602091 | 0.79 | P2RX7 (0.56) | ALDH1A1P2RX7MAPTCA12CA1 | |
| SCHEMBL5026814 | 0.79 | P2RX7 (0.55) | ALDH1A1P2RX7KMT2AMEN1LMNA | |
| SCHEMBL20188582 | 0.78 | ALDH1A1 (0.53) | ALDH1A1P2RX7MAPTKMT2AMEN1 | |
| SCHEMBL30817753 | 0.78 | ALDH1A1 (0.53) | ALDH1A1P2RX7MAPTKMT2AMEN1 | |
| Hydrochloric Acid SCHEMBL29205819 | 0.78 | P2RX7 (0.55) | ALDH1A1P2RX7MAPTKMT2AMEN1 | |
| SCHEMBL27539765 | 0.78 | P2RX7 (0.55) | ALDH1A1P2RX7MAPTKMT2AMEN1 | |
| SCHEMBL30731163 | 0.76 | KMT2A (0.58) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL9944382 | 0.76 | KMT2A (0.58) | ALDH1A1MAPTCA12CA1CA2 | |
| SCHEMBL27708372 | 0.76 | P2RX7 (0.49) | ALDH1A1P2RX7KMT2AMEN1AHR |
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-109310668-B | Positive allosteric modulators of muscarinic acetylcholine receptor M4 | 范德比尔特大学 | 2023-01-24 | — | — | CN | disclosed |