Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 6/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | ATM | Q13315 | 2/20 | 0.43 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL24309874 | 0.74 | MAPK1 (0.52) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11978702 | 0.72 | MAPK1 (0.70) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14987893 | 0.72 | MAPK1 (1.00) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309752 | 0.70 | MAPK1 (0.57) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309569 | 0.69 | TDP1 (0.70) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24309604 | 0.69 | MAPK1 (0.70) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL24310546 | 0.67 | MAPK1 (0.49) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4268518 | 0.65 | LTA4H (0.60) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL14987882 | 0.65 | MAPK1 (0.82) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11398105 | 0.64 | NUDT1 (0.48) | MAPK1TDP1CYP1A2CYP2C9CYP2C19 |
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 |