Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | SLC15A2 | Q16348 | 1/20 | 0.43 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10211 | 0.89 | TSHR (0.56) | ALDH1A1TSHRLMNAMGAMGAA | |
| SCHEMBL11463456 | 0.86 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNASLC15A2MGAM | |
| SCHEMBL2627713 | 0.81 | TSHR (0.39) | ALDH1A1TSHRMGAMGAASI | |
| SCHEMBL3300140 | 0.79 | TSHR (0.46) | ALDH1A1TSHRLMNAMGAMGAA | |
| SCHEMBL10214 | 0.79 | EGLN1 (0.50) | ALDH1A1TSHRLMNASLC15A2KDM4E | |
| SCHEMBL134985 | 0.78 | — | — | |
| SCHEMBL11672385 | 0.77 | EGLN1 (0.48) | ALDH1A1TSHRLMNASLC15A2KDM4E | |
| SCHEMBL450087 | 0.76 | — | — | |
| SCHEMBL21725259 | 0.76 | — | — | |
| SCHEMBL8364037 | 0.76 | — | — |
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-112898244-B | Method for synthesizing gamma-valerolactone | 南京理工大学 | 2022-12-13 | — | — | CN | claimed |