Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | MGLL | Q99685 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.43 |
| ▸ | APP | P05067 | 4/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29624513 | 0.98 | MAOB (0.54) | MAOBCA1MGLLHDAC2APP | |
| SCHEMBL22448429 | 0.89 | L3MBTL1 (0.44) | MAOBCA1MGLLHDAC2APP | |
| SCHEMBL11262511 | 0.87 | MAOB (0.70) | MAOBHDAC2APPHDAC1HDAC6 | |
| SCHEMBL11262494 | 0.87 | MAOB (0.70) | MAOBHDAC2APPHDAC1HDAC6 | |
| SCHEMBL16867382 | 0.87 | MAOB (0.70) | MAOBHDAC2APPHDAC1HDAC6 | |
| SCHEMBL504509 | 0.87 | MAOB (0.70) | MAOBHDAC2APPHDAC1HDAC6 | |
| SCHEMBL11777017 | 0.84 | MAOB (0.74) | MAOBCA1MGLLHDAC2APP | |
| SCHEMBL9454821 | 0.84 | MAOB (0.74) | MAOBHDAC2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL21457949 | 0.84 | MAOB (0.74) | MAOBHDAC2HDAC1HDAC6ALDH1A1 | |
| SCHEMBL627659 | 0.84 | MAOB (0.74) | MAOBHDAC2HDAC1HDAC6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108101826-B | Indole-substituted alkylamine compound and application thereof | 华东理工大学 | 2022-05-10 | — | — | CN | disclosed |