Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ESR1 | P03372 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | KDR | P35968 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | NAAA | Q02083 | 1/20 | 0.33 |
| ▸ | DGKA | P23743 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720644 | 1.00 | HCAR2 (0.41) | HCAR2ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL28810132 | 0.90 | HCAR2 (0.39) | HCAR2ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL9720591 | 0.85 | ALDH1A1 (0.56) | HCAR2ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL9720593 | 0.85 | ALDH1A1 (0.56) | HCAR2ALDH1A1SMN1; SMN2TSHRLMNA | |
| SCHEMBL9720620 | 0.84 | LMNA (0.38) | HCAR2ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL9720615 | 0.84 | LMNA (0.38) | HCAR2ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL9408854 | 0.84 | — | — | |
| SCHEMBL26670087 | 0.83 | TSHR (0.59) | HCAR2ALDH1A1TSHRLMNATP53 | |
| SCHEMBL138475 | 0.83 | HCAR2 (0.48) | HCAR2ALDH1A1GAASMN1; SMN2TSHR | |
| SCHEMBL7184710 | 0.83 | HCAR2 (0.34) | HCAR2ALDH1A1GAASMN1; SMN2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5101067-A | Chemical intermediates for pyridinedicarboxylic acid esters, herbicides | WACKER-CHEMIE GMBH (DE) | 1992-03-31 | — | — | US | disclosed |
| US-5008392-A | Reacting 2,3-dihalomaleic acid esters with ammonia or salts, reacting product with alpha, B-unsaturated aldehydes or ketones | WACKER-CHEMIE GMBH (DE) | 1991-04-16 | — | — | US | disclosed |