Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | LPL | P06858 | 1/20 | 0.37 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | MGLL | Q99685 | 2/20 | 0.32 |
| ▸ | PLK1 | P53350 | 1/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 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 | |
|---|---|---|---|---|
| SCHEMBL16694405 | 0.98 | TP53 (0.40) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL20591124 | 0.88 | TSHR (0.34) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL20591125 | 0.88 | TSHR (0.34) | TP53TAAR1CYP2A6LPLLIPG | |
| SCHEMBL2557952 | 0.80 | — | — | |
| SCHEMBL29670164 | 0.75 | TP53 (0.38) | TP53CYP2A6ALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL15603776 | 0.74 | HSPA5 (0.34) | PDE2A | |
| Hydrochloric Acid SCHEMBL18796541 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL18796536 | 0.74 | — | — | |
| SCHEMBL16694168 | 0.72 | TP53 (0.39) | TP53CYP2A6ALDH1A1SMN1; SMN2MAPK1 | |
| SCHEMBL29589371 | 0.72 | TP53 (0.39) | TP53CYP2A6ALDH1A1SMN1; SMN2MAPK1 |
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-2022114117-A1 | PALLADIUM COMPLEX, COUPLING REACTION CATAYLST, AND METHOD FOR PRODUCING AROMATIC COMPOUND | エヌ・イーケムキャット株式会社 | 2022-06-02 | — | — | WO | disclosed |