Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA3 | P07451 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28916093 | 0.75 | MAOA (0.50) | GSK3BCA2CA1ALDH1A1MAPT | |
| SCHEMBL28598605 | 0.75 | MAOA (0.44) | GSK3BCA2CA1MAPTLMNA | |
| SCHEMBL19105477 | 0.75 | GSK3B (0.60) | GSK3BCYP19A1CA2CA1ALDH1A1 | |
| SCHEMBL28583017 | 0.75 | MAOA (0.50) | CA2CA1LMNARAB9A | |
| SCHEMBL508101 | 0.74 | GSK3B (0.42) | GSK3BCYP19A1CA2CA1ALDH1A1 | |
| SCHEMBL5995457 | 0.74 | MAOA (0.47) | ALDH1A1MAPTLMNAMEN1KMT2A | |
| SCHEMBL6936850 | 0.72 | GSK3B (0.43) | GSK3BCYP19A1CA2CA1ALDH1A1 | |
| SCHEMBL21758757 | 0.72 | GSK3B (0.43) | GSK3BCYP19A1CA2CA1ALDH1A1 | |
| SCHEMBL19791086 | 0.71 | MEN1 (0.41) | GSK3BCYP19A1CA2CA1ALDH1A1 | |
| SCHEMBL8254440 | 0.71 | ALDH1A1 (0.54) | GSK3BCYP19A1CA2CA1ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0901453-B1 | METHOD FOR ORGANIC REACTIONS | LABWELL AB (SE) | 2000-11-15 | — | — | EP | disclosed |
| US-6136157-A | Method for organic reactions | LABWELL AB (SE) | 2000-10-24 | — | — | US | disclosed |
| EP-0901453-A1 | METHOD FOR ORGANIC REACTIONS | Labwell AB (SE) | 1999-03-17 | — | — | EP | disclosed |
| WO-1997043230-A1 | METHOD FOR ORGANIC REACTIONS | LABWELL AB (SE) | 1997-11-20 | — | — | WO | disclosed |