Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | GRM5 | P41594 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309988 | 0.78 | GPR39 (0.43) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL29567129 | 0.77 | TSHR (0.48) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309475 | 0.77 | TSHR (0.48) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309592 | 0.73 | NPC1 (0.37) | GPR39MAPTMAPK1NUDT1MEN1 | |
| SCHEMBL24310765 | 0.72 | GPR39 (0.38) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309956 | 0.70 | GPR39 (0.35) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26810820 | 0.65 | TSHR (0.49) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24310492 | 0.61 | TDP1 (0.44) | MAPTTDP1TSHRMEN1KMT2A | |
| SCHEMBL26810957 | 0.61 | TSHR (0.54) | GPR39MAPTCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL26810948 | 0.60 | TSHR (0.55) | GPR39TSHRNPSR1MEN1KMT2A |
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-2022076627-A1 | MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2022-04-14 | — | — | WO | disclosed |