Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | TNK2 | Q07912 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL24310563 | 0.91 | HPGD (0.31) | GPR39MAPTHPGD | |
| SCHEMBL24309575 | 0.90 | NPC1 (0.33) | MAPTMEN1KMT2AHTTMAPK1 | |
| SCHEMBL24310126 | 0.90 | AURKA (0.36) | ALDH1A1AURKAAURKBLMNA | |
| SCHEMBL24309553 | 0.90 | MAP4K1 (0.31) | — | |
| SCHEMBL24310142 | 0.90 | GPR39 (0.30) | GPR39 | |
| SCHEMBL24309688 | 0.88 | MAPK1 (0.46) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24310557 | 0.87 | DGAT2 (0.32) | — | |
| SCHEMBL24309518 | 0.87 | LMNA (0.39) | MEN1KMT2AHTTNUDT1LMNA | |
| SCHEMBL24309556 | 0.86 | MAP4K1 (0.35) | — | |
| SCHEMBL24310009 | 0.86 | GPR39 (0.45) | GPR39CYP1A2MAPTCYP2C9CYP2C19 |
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 |