Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | NQO2 | P16083 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22143896 | 0.81 | TSHR (0.55) | TSHRMAPK1GAAALDH1A1NQO2 | |
| SCHEMBL16089345 | 0.77 | MAPK1 (0.50) | TSHRMAPK1GAAKDM4EALDH1A1 | |
| SCHEMBL15599678 | 0.77 | MAPK1 (0.50) | TSHRMAPK1GAAKDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL6556280 | 0.76 | ATM (0.50) | MAPK1GAAKDM4EALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL28435357 | 0.72 | MAPT (0.50) | MAPK1GAAKDM4EALDH1A1MAPT | |
| 4-Nitrobenzoic Acid SCHEMBL28690722 | 0.72 | TDP1 (0.64) | TSHRMAPK1GAAALDH1A1MAPT | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL1500579 | 0.72 | KCNJ1 (0.68) | MAPK1KDM4EALDH1A1MAPTLMNA | |
| 4-Nitrobenzoic Acid Ethyl Ester SCHEMBL21644730 | 0.72 | KCNJ1 (0.64) | MAPK1KDM4EALDH1A1MAPTLMNA | |
| Ethyl Acetate SCHEMBL28503452 | 0.72 | MAPK1 (0.71) | TSHRMAPK1GAAKDM4EALDH1A1 | |
| Nitrobenzene SCHEMBL27659769 | 0.71 | ALDH1A1 (0.47) | GAAALDH1A1MAPTNQO2LMNA |
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-2020127685-A1 | AMINO-ACID ANILIDES AS SMALL MOLECULE MODULATORS OF IL-17 | LEO PHARMA A/S (DK) | 2020-06-25 | — | — | WO | disclosed |