Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.60 |
| ▸ | PKM | P14618 | 2/20 | 0.60 |
| ▸ | PARP1 | P09874 | 1/20 | 0.57 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.57 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.50 |
| ▸ | CA2 | P00918 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4298023 | 0.86 | ALDH1A1 (0.59) | ALDH1A1KDM4EPKMMAPTLMNA | |
| SCHEMBL10604729 | 0.85 | MAPT (0.57) | ALDH1A1KDM4EPKMMAPTLMNA | |
| SCHEMBL29332121 | 0.84 | CA12 (0.55) | ALDH1A1KDM4EPKMPARP1PARP2 | |
| SCHEMBL28315894 | 0.83 | ALDH1A1 (0.56) | ALDH1A1KDM4EPKMMAPTLMNA | |
| SCHEMBL30140734 | 0.83 | NPC1 (0.46) | ALDH1A1KDM4EPKMPARP1PARP2 | |
| SCHEMBL6258731 | 0.83 | SLC9A1 (0.56) | ALDH1A1KDM4EPKMPARP1PARP2 | |
| Hydrochloric Acid SCHEMBL6312270 | 0.82 | SLC9A1 (0.54) | ALDH1A1KDM4EPKMPARP1PARP2 | |
| SCHEMBL10321185 | 0.82 | HTT (0.57) | ALDH1A1KDM4EPKMMAPTLMNA | |
| SCHEMBL2031958 | 0.81 | PARP1 (0.59) | ALDH1A1KDM4EPKMPARP1PARP2 | |
| SCHEMBL28210218 | 0.81 | PARP1 (0.59) | ALDH1A1KDM4EPKMPARP1PARP2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008016811-A2 | AMINOPIPERIDINES AND REALTED COMPOUNDS | NEUROGEN CORPORATION (US) | 2008-02-07 | — | — | WO | disclosed |