Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | AKT1 | P31749 | 1/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | MTOR | P42345 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29566989 | 0.77 | NUDT1 (0.43) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24310321 | 0.77 | NUDT1 (0.43) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24309816 | 0.77 | NUDT1 (0.43) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24309324 | 0.77 | NUDT1 (0.47) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24309720 | 0.70 | NUDT1 (0.43) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL29567237 | 0.70 | NUDT1 (0.43) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL17623909 | 0.65 | MEN1 (0.56) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24309817 | 0.65 | NUDT1 (0.41) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL4535033 | 0.65 | HSP90AA1 (0.51) | NUDT1KMT2ASMN1; SMN2NPC1RAB9A | |
| SCHEMBL24309982 | 0.65 | HSP90AB1 (0.42) | KMT2AMEN1CYP1A2CYP2C19HSP90AA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4225748-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | Vertex Pharmaceuticals Incorporated (US) | 2023-08-16 | — | — | EP | disclosed |
| WO-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |