Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.37 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.35 |
| ▸ | NOS1 | P29475 | 2/20 | 0.35 |
| ▸ | NOS2 | P35228 | 2/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | GAA | P10253 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.34 |
| ▸ | RELA | Q04206 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL22452583 | 0.84 | S100B (0.41) | BACE1PSMB5NOS3NOS1NOS2 | |
| SCHEMBL22453700 | 0.83 | BACE1 (0.38) | BACE1PSMB5NOS3NOS1NOS2 | |
| SCHEMBL20210323 | 0.81 | SLC18A3 (0.46) | BACE1PSMB5NOS3NOS1NOS2 | |
| SCHEMBL22453369 | 0.80 | PSMB5 (0.41) | BACE1PSMB5ADKNOS3NOS1 | |
| SCHEMBL22453195 | 0.80 | SLC18A3 (0.44) | BACE1PSMB5ADKNOS3NOS1 | |
| SCHEMBL10627717 | 0.78 | BACE1 (0.49) | BACE1MAPTLMNAKMT2AGAA | |
| SCHEMBL20210026 | 0.76 | SLC18A3 (0.41) | BACE1PSMB5SLC18A3MAPTLMNA | |
| SCHEMBL20210022 | 0.75 | LMNA (0.49) | PSMB5SLC18A3MAPTLMNAKMT2A | |
| SCHEMBL22452582 | 0.75 | CYP3A4 (0.43) | BACE1PSMB5NOS3NOS1NOS2 | |
| SCHEMBL10109191 | 0.75 | SLC18A3 (0.43) | PSMB5SLC18A3MAPTLMNAHTT |
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-2020190774-A1 | NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS | THE GENERAL HOSPITAL CORPORATION (US) | 2020-09-24 | — | — | WO | disclosed |