Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | HSD11B2 | P80365 | 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 | |
|---|---|---|---|---|
| SCHEMBL1760687 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL29885718 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL29886257 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL15454179 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL375061 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL27526921 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL2724740 | 0.97 | ALDH1A1 (0.44) | ALDH1A1HSD11B1HSD11B2 | |
| SCHEMBL3774067 | 0.96 | ALDH1A1 (0.50) | ALDH1A1HSD11B1HSD11B2 | |
| Barium SCHEMBL29897735 | 0.94 | ALDH1A1 (0.41) | ALDH1A1 | |
| SCHEMBL30595060 | 0.94 | ALDH1A1 (0.41) | ALDH1A1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9273342-B2 | Methods and systems for evaluating and predicting the reactivity of monooxygenase enzymes | UNIVERSITY OF ROCHESTER (US) | 2016-03-01 | — | — | US | claimed |
| US-20140038850-A1 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2014-02-06 | — | — | US | claimed |
| WO-2012109586-A2 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2012-08-16 | — | — | WO | claimed |
| CN-118922404-A | Compound, polymerizable composition, cured product, color filter, partition wall, and image display device | 三菱化学株式会社 | 2024-11-08 | — | — | CN | disclosed |
| CN-115210219-A | Oxime ester photoinitiators | 巴斯夫欧洲公司 | 2022-10-18 | — | — | CN | disclosed |
| CN-109803969-B | 2-phenylphenoxy substituted perylene bisimide compounds and uses thereof | 巴斯夫欧洲公司 | 2022-08-05 | — | — | CN | disclosed |
| US-9273342-B2 | Methods and systems for evaluating and predicting the reactivity of monooxygenase enzymes | UNIVERSITY OF ROCHESTER (US) | 2016-03-01 | — | — | US | disclosed |
| US-20140038850-A1 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2014-02-06 | — | — | US | disclosed |
| WO-2012109586-A2 | METHODS AND SYSTEMS FOR EVALUATING AND PREDICTING THE REACTIVITY OF MONOOXYGENASE ENZYMES | UNIVERSITY OF ROCHESTER (US) | 2012-08-16 | — | — | WO | disclosed |