Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | EEF2K | O00418 | 1/20 | 0.39 |
| ▸ | KLK3 | P07288 | 1/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 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 | |
|---|---|---|---|---|
| SCHEMBL12162742 | 0.82 | IDO1 (0.42) | MAPTIDO1CYP1A2ALDH1A1LMNA | |
| SCHEMBL10280646 | 0.81 | EEF2K (0.44) | TP53MAPTIDO1CYP1A2ALDH1A1 | |
| SCHEMBL880317 | 0.79 | LMNA (0.43) | TP53MAPTALDH1A1LMNAKDM4E | |
| SCHEMBL880297 | 0.76 | LMNA (0.64) | TP53MAPTIDO1ALDH1A1LMNA | |
| SCHEMBL12278879 | 0.76 | ALDH1A1 (0.46) | MAPTIDO1CYP2A6ALDH1A1LMNA | |
| SCHEMBL14047508 | 0.75 | EEF2K (0.44) | TP53MAPTIDO1ALDH1A1LMNA | |
| SCHEMBL12162752 | 0.75 | CYP19A1 (0.49) | TP53MAPTIDO1ALDH1A1LMNA | |
| SCHEMBL7154204 | 0.73 | WDR5 (0.45) | MAPTIDO1CYP1A2ALDH1A1LMNA | |
| SCHEMBL13051076 | 0.70 | IDO1 (0.55) | TP53MAPTIDO1ALDH1A1LMNA | |
| SCHEMBL880437 | 0.69 | LMNA (0.61) | TP53MAPTIDO1CYP2A6ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8440705-B2 | 2,3,4,7,8,9-hexahydro-1H-cyclopenta[h]quinolin-2-one or 2,3,4,6,7,8-hexahydro-1H-cyclopenta[g]quinolin-2-one; Alzheimer's disease | WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) | 2013-05-14 | — | — | US | disclosed |
| EP-2433634-A2 | Compounds, compositions and methods of inhibiting a-synuclein toxicity | The Whitehead Institute for Biomedical Research (US) | 2012-03-28 | — | — | EP | disclosed |