Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 5/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9720591 | 1.00 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL26670087 | 0.93 | TSHR (0.59) | ALDH1A1ATMTSHRHCAR2NAAA | |
| SCHEMBL29220279 | 0.91 | TSHR (0.62) | ALDH1A1TSHRHCAR2NAAARAD52 | |
| SCHEMBL29220191 | 0.91 | TSHR (0.62) | ALDH1A1TSHRHCAR2NAAARAD52 | |
| SCHEMBL26670086 | 0.87 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL29116280 | 0.87 | ALDH1A1 (0.54) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL7065654 | 0.86 | ALDH1A1 (0.56) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL29116278 | 0.86 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL26670066 | 0.86 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDHCAR2 | |
| SCHEMBL9720639 | 0.86 | ALDH1A1 (0.47) | ALDH1A1ATMTSHRHPGDHCAR2 |
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 |