Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIA1 | P42261 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.31 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.31 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| 1,4-Butanediol SCHEMBL7623431 | 1.00 | GRIA1 (0.40) | GRIA1SMN1; SMN2LMNAALDH1A1TSHR | |
| SCHEMBL5354 | 0.83 | — | — | |
| Monoethanolamine SCHEMBL28988166 | 0.82 | TSHR (0.44) | GRIA1LMNAALDH1A1TSHRTP53 | |
| 1,4-Butanediol SCHEMBL28702623 | 0.80 | TP53 (0.38) | GRIA1SMN1; SMN2LMNAALDH1A1TSHR | |
| 1,4-Butanediol SCHEMBL130918 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| 1,4-Butanediol SCHEMBL15301979 | 0.80 | SMN1; SMN2 (0.44) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| Fluoride SCHEMBL11339901 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2671055 | 0.79 | — | — | |
| 1,4-Butanediol SCHEMBL924158 | 0.79 | CA5A (0.50) | SMN1; SMN2LMNAALDH1A1TSHRHSD17B10 | |
| SCHEMBL7608901 | 0.79 | — | — |
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-109776779-A | A kind of degradable macromolecular dyestuff of water solubility and preparation method thereof | 安徽清彩科技有限公司 | 2019-05-21 | — | — | CN | disclosed |