Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.49 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | CES2 | O00748 | 1/20 | 0.49 |
| ▸ | CES1 | P23141 | 1/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 2/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.46 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6662868 | 0.84 | CES2 (0.53) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL14523920 | 0.83 | ELANE (0.44) | RAB9ACES2CES1KMT2AALDH1A1 | |
| SCHEMBL6664127 | 0.83 | MAPT (0.47) | LMNA | |
| SCHEMBL9359083 | 0.81 | MTNR1A (0.48) | NPC1RAB9AMAOBMEN1KMT2A | |
| SCHEMBL6666197 | 0.79 | BCHE (0.54) | NPC1RAB9AMEN1KMT2AALDH1A1 | |
| SCHEMBL411502 | 0.77 | ESR1 (0.69) | NPC1RAB9ACES2CES1MEN1 | |
| SCHEMBL2096154 | 0.77 | CES2 (0.58) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL2092794 | 0.74 | CES2 (0.60) | NPC1RAB9ACES2CES1MAOB | |
| 1,3-Dimethoxybenzene SCHEMBL15870025 | 0.74 | ACHE (0.67) | NPC1RAB9ACES2CES1MAOB | |
| SCHEMBL6669109 | 0.73 | MAPT (0.46) | NPC1RAB9AMEN1KMT2AALDH1A1 |
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-2004024684-A2 | ENANTIOSELECTIVE AMINATION AND ETHERIFICATION | YALE UNIVERSITY (US) | 2004-03-25 | — | — | WO | disclosed |