Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 9/20 | 0.38 |
| ▸ | BCHE | P06276 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.36 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TRPC5 | Q9UL62 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24287270 | 0.87 | ACHE (0.41) | ACHEBCHEMEN1KMT2ANPC1 | |
| SCHEMBL26813085 | 0.85 | ACHE (0.35) | ACHEBCHEMEN1KMT2ANPC1 | |
| SCHEMBL24287272 | 0.80 | ACHE (0.41) | ACHEBCHEMEN1KMT2ANPC1 | |
| SCHEMBL26813087 | 0.78 | ACHE (0.35) | TP53RXFP1ACHEBCHEMEN1 | |
| SCHEMBL24287268 | 0.75 | TP53 (0.40) | TP53RXFP1ACHEBCHEMEN1 | |
| SCHEMBL24287269 | 0.74 | ACHE (0.30) | ACHE | |
| SCHEMBL24287263 | 0.74 | TP53 (0.40) | TP53RXFP1ACHEBCHEMEN1 | |
| SCHEMBL26813338 | 0.73 | HTR1A (0.36) | ACHEMEN1KMT2ATSHRHPGD | |
| SCHEMBL857114 | 0.70 | PDK1 (0.37) | ACHEPARP1TNKS2PARP2 | |
| SCHEMBL16479770 | 0.70 | PDK1 (0.39) | ACHEPARP1TNKS2PARP2 |
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-2022076629-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |