Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR39 | O43194 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL29566655 | 0.82 | TSHR (0.44) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24309909 | 0.82 | TSHR (0.44) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310349 | 0.78 | GPR39 (0.35) | GPR39CYP1A2MAPTCYP2C9CYP2C19 | |
| SCHEMBL24310501 | 0.78 | GPR39 (0.39) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24309752 | 0.77 | MAPK1 (0.57) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310446 | 0.76 | MAPT (0.46) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310009 | 0.74 | GPR39 (0.45) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310122 | 0.73 | GPR39 (0.49) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310766 | 0.73 | GPR39 (0.44) | GPR39MEN1KMT2AHTTCYP1A2 | |
| SCHEMBL24310755 | 0.71 | MAPT (0.41) | GPR39MEN1KMT2AHTTCYP1A2 |
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 |