Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 5/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.67 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.67 |
| ▸ | HPGD | P15428 | 3/20 | 0.67 |
| ▸ | TRPV1 | Q8NER1 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.67 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.67 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.67 |
| ▸ | MAOA | P21397 | 2/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | NPC1 | O15118 | 2/20 | 0.67 |
| ▸ | RAB9A | P51151 | 2/20 | 0.67 |
| ▸ | CTSD | P07339 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.67 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.67 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.67 |
| ▸ | DHODH | Q02127 | 1/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL17340487 | 0.85 | KDM4E (0.85) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL19400202 | 0.83 | MEN1 (0.73) | MAOBALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL19400200 | 0.82 | ALDH1A1 (0.69) | MAOBALDH1A1SMN1; SMN2KDM4EHPGD | |
| SCHEMBL19400203 | 0.82 | ALDH1A1 (0.69) | MAOBALDH1A1SMN1; SMN2KDM4EHPGD | |
| Trichostachine SCHEMBL13333292 | 0.82 | MAOB (0.97) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| Trichostachine SCHEMBL16274586 | 0.82 | MAOB (0.97) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| Trichostachine SCHEMBL29477308 | 0.82 | MAOB (0.97) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| Trichostachine SCHEMBL11434813 | 0.82 | MAOB (0.97) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL7290469 | 0.82 | KDM4E (0.65) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 | |
| SCHEMBL17340505 | 0.81 | HPGD (0.84) | MAOBALDH1A1SMN1; SMN2KDM4EHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2519511-B1 | NOVEL PIPERINE DERIVATIVES AS GABA-A RECEPTORS MODULATORS | Universität Wien (AT) | 2015-12-16 | — | — | EP | disclosed |