Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | GPR39 | O43194 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 4/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL24309909 | 1.00 | TSHR (0.44) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL24309912 | 0.82 | GPR39 (0.40) | GPR39MAPTALDH1A1KDM4ELMNA | |
| SCHEMBL26811043 | 0.81 | TSHR (0.45) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL26810818 | 0.81 | PIK3CD (0.50) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL26811018 | 0.80 | TSHR (0.44) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL26811014 | 0.80 | SMN1; SMN2 (0.44) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL24309305 | 0.79 | HTR1A (0.35) | TSHRSMN1; SMN2GPR39MAPTALDH1A1 | |
| SCHEMBL29566709 | 0.79 | HTR1A (0.35) | TSHRSMN1; SMN2GPR39MAPTALDH1A1 | |
| SCHEMBL24310495 | 0.78 | TSHR (0.44) | TSHRSMN1; SMN2GPR39MAPTPGR | |
| SCHEMBL29566660 | 0.78 | TSHR (0.44) | TSHRSMN1; SMN2GPR39MAPTPGR |
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 |