Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29570967 | 0.85 | TDP1 (0.50) | TP53MAPTRAB9ASMN1; SMN2ADRA1D | |
| SCHEMBL24326772 | 0.85 | TDP1 (0.50) | TP53MAPTRAB9ASMN1; SMN2ADRA1D | |
| SCHEMBL17260672 | 0.67 | CASP3 (0.59) | ADRA1DADRA1AADRA1BALDH1A1CA1 | |
| SCHEMBL30059278 | 0.65 | NPC1 (0.52) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL16755492 | 0.65 | ALDH1A1 (0.69) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL16769889 | 0.65 | ALDH1A1 (0.69) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL16755491 | 0.65 | ALDH1A1 (0.69) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL21162380 | 0.64 | NPC1 (0.55) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL30451947 | 0.64 | SIGMAR1 (0.46) | TP53MAPTRAB9ASMN1; SMN2NPC1 | |
| SCHEMBL3715438 | 0.64 | SIGMAR1 (0.46) | TP53MAPTRAB9ASMN1; SMN2NPC1 |
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-2022076625-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |