Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.33 |
| ▸ | ATM | Q13315 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | ERN1 | O75460 | 1/20 | 0.32 |
| ▸ | TNFRSF1A | P19438 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL27635853 | 0.86 | ALDH1A1 (0.41) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| Formamide SCHEMBL28296947 | 0.84 | KCNN4 (0.44) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| SCHEMBL78489 | 0.83 | TSHR (0.50) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| Formaldehyde SCHEMBL27601295 | 0.81 | ALDH1A1 (0.44) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| Benzene SCHEMBL28296949 | 0.81 | KCNN4 (0.52) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| 1,2-Dichlorobenzene SCHEMBL28067053 | 0.81 | TSHR (0.53) | TDP1ALDH1A1TSHRMEN1KMT2A | |
| Chlorobenzene SCHEMBL28295200 | 0.75 | TSHR (0.50) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| SCHEMBL5276758 | 0.74 | KCNN4 (0.41) | TDP1ALDH1A1TSHRKCNN4HSD11B1 | |
| Formic Acid Methyl Ester SCHEMBL28148439 | 0.73 | ALDH1A1 (0.46) | TDP1ALDH1A1TSHRMEN1KMT2A | |
| Formic Acid Methyl Ester SCHEMBL28217042 | 0.72 | TSHR (0.62) | TDP1ALDH1A1TSHRMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109694382-A | A method of preparing aryl-boric acid ester at room temperature | 广州医科大学 | 2019-04-30 | — | — | CN | disclosed |