Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADH1B | P00325 | 1/20 | 0.32 |
| ▸ | ADH1C | P00326 | 1/20 | 0.32 |
| ▸ | ADH1A | P07327 | 1/20 | 0.32 |
| ▸ | ADH7 | P40394 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL28627955 | 0.82 | LMNA (0.34) | TSHRALDH1A1LMNAGAAKMT2A | |
| SCHEMBL711694 | 0.72 | LMNA (0.36) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL8885 | 0.72 | LTA4H (0.50) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL55401 | 0.72 | TSHR (0.44) | TSHRALDH1A1CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL693111 | 0.70 | LTA4H (0.47) | TSHRALDH1A1CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL11627153 | 0.70 | TSHR (0.42) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL1797563 | 0.68 | LMNA (0.33) | TSHRALDH1A1LMNAGAAKMT2A | |
| SCHEMBL29544396 | 0.68 | LTA4H (0.45) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL4531186 | 0.64 | CA4 (0.43) | TSHRALDH1A1CA1CA2CA9 | |
| SCHEMBL4735958 | 0.64 | CA4 (0.50) | TSHRCA1CA2CA9LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5104894-A | Ellagic acid analogues | UNIVERSITY OF GUELPH (CA) | 1992-04-14 | — | — | US | disclosed |