Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | NMT1 | P30419 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11141869 | 1.00 | HTT (0.38) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL637010 | 0.84 | HTT (0.50) | HTTPOLBALDH1A1CYP3A4MAPT | |
| SCHEMBL26167438 | 0.81 | SKP2 (0.36) | CA1CA2CA9ALDH1A1CYP3A4 | |
| SCHEMBL5430753 | 0.81 | HTT (0.39) | HTTPOLBCA1CA2CA9 | |
| SCHEMBL27778796 | 0.81 | ALDH1A1 (0.37) | CA1CA2CA9NMT1ALDH1A1 | |
| SCHEMBL30080187 | 0.81 | ALDH1A1 (0.37) | CA1CA2CA9NMT1ALDH1A1 | |
| SCHEMBL31180357 | 0.79 | CYP3A4 (0.36) | CA1CA2CA9NMT1ALDH1A1 | |
| SCHEMBL1570736 | 0.79 | CYP3A4 (0.36) | CA1CA2CA9NMT1ALDH1A1 | |
| SCHEMBL16602108 | 0.79 | ALDH1A1 (0.36) | CA1CA2CA9NMT1ALDH1A1 | |
| SCHEMBL7784820 | 0.78 | HTT (0.41) | HTTPOLBALDH1A1CYP3A4MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-4237507-A1 | AROMATIC ISOTHIOCYANATES | Merck Patent GmbH (DE) | 2023-09-06 | — | — | EP | disclosed |
| WO-2022090098-A1 | AROMATIC ISOTHIOCYANATES | MERCK PATENT GMBH (DE) | 2022-05-05 | — | — | WO | disclosed |