Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | TSHR | P16473 | 4/20 | 0.43 |
| ▸ | HMGCR | P04035 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL14370458 | 0.76 | ALDH1A1 (0.45) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL26939978 | 0.76 | TSHR (0.40) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| Hydrochloric Acid SCHEMBL10333610 | 0.74 | TSHR (0.38) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL2311220 | 0.74 | TSHR (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL5825706 | 0.74 | TSHR (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| Hydrogen Sulfide SCHEMBL28099743 | 0.74 | ALDH1A1 (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL567250 | 0.73 | — | — | |
| SCHEMBL9621651 | 0.72 | TSHR (0.42) | ALDH1A1TSHRHIF1ATP53KMT2A | |
| SCHEMBL9242138 | 0.72 | TSHR (0.36) | ALDH1A1TSHRHIF1ACYP2D6CYP2C19 | |
| SCHEMBL5270259 | 0.72 | HDAC3 (0.43) | ALDH1A1TSHRHMGCRCHRM1TBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| JP-4001190-A | — | — | None | — | — | JP | disclosed |
| JP-H041190-A | PRODUCTION OF 3-METHYL-1,4-DIOXANE-2,5-DIONE | RES INST FOR PROD DEV | 1992-01-06 | — | — | JP | disclosed |