Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309263 | 0.90 | POLB (0.34) | TSHRLMNAKDM4EMEN1KMT2A | |
| SCHEMBL24310314 | 0.87 | RORC (0.35) | MAPTCYP1A2CYP2C19NPSR1LMNA | |
| SCHEMBL24309777 | 0.83 | LMNA (0.38) | GPR39MAPTMAPK1L3MBTL1CYP1A2 | |
| SCHEMBL24309770 | 0.81 | LMNA (0.34) | MAPK1CYP1A2CYP2C19TSHRLMNA | |
| SCHEMBL24310009 | 0.79 | GPR39 (0.45) | GPR39MAPTMAPK1L3MBTL1CYP1A2 | |
| SCHEMBL24310579 | 0.78 | RORC (0.35) | CYP1A2CYP2C19NPSR1LMNAKDM4E | |
| SCHEMBL24330884 | 0.78 | F10 (0.40) | GPR39F2 | |
| SCHEMBL24309507 | 0.77 | CYP1A2 (0.35) | GPR39MAPTCYP1A2CYP2C19TSHR | |
| SCHEMBL24309252 | 0.76 | RXRA (0.39) | MAPTMAPK1TSHRNPSR1LMNA | |
| SCHEMBL24310546 | 0.75 | MAPK1 (0.49) | GPR39MAPTMAPK1L3MBTL1CYP1A2 |
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 |