Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 4/20 | 0.37 |
| ▸ | BCHE | P06276 | 3/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309720 | 1.00 | NUDT1 (0.43) | NUDT1SMN1; SMN2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24309324 | 0.79 | NUDT1 (0.47) | NUDT1SMN1; SMN2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL26807641 | 0.78 | TSHR (0.48) | SMN1; SMN2ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL29566520 | 0.72 | HTR1A (0.38) | SMN1; SMN2ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL24309722 | 0.72 | HTR1A (0.38) | SMN1; SMN2ALDH1A1KMT2AMEN1TSHR | |
| SCHEMBL24309816 | 0.72 | NUDT1 (0.43) | NUDT1SMN1; SMN2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL29566989 | 0.72 | NUDT1 (0.43) | NUDT1SMN1; SMN2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24310321 | 0.72 | NUDT1 (0.43) | NUDT1SMN1; SMN2ALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL24309724 | 0.71 | — | — | |
| SCHEMBL2724248 | 0.71 | HSP90AA1 (0.47) | SMN1; SMN2CYP1A2KMT2AMEN1KDM4E |
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 |