Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNN4 | O15554 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 6/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | HTR2A | P28223 | 2/20 | 0.42 |
| ▸ | HTR2C | P28335 | 2/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL78489 | 0.97 | TSHR (0.50) | KCNN4TSHRALDH1A1TDP1LMNA | |
| Chlorobenzene SCHEMBL28295200 | 0.93 | TSHR (0.50) | KCNN4TSHRALDH1A1TDP1LMNA | |
| Formaldehyde SCHEMBL27601295 | 0.90 | ALDH1A1 (0.44) | KCNN4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL27635853 | 0.86 | ALDH1A1 (0.41) | KCNN4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL27759221 | 0.85 | CYP2A6 (0.54) | KCNN4TSHRALDH1A1TDP1LMNA | |
| Formamide SCHEMBL28296947 | 0.84 | KCNN4 (0.44) | KCNN4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL7571745 | 0.81 | KCNN4 (0.48) | KCNN4TSHRALDH1A1TDP1LMNA | |
| Formic Acid Methyl Ester SCHEMBL28296946 | 0.81 | TDP1 (0.38) | KCNN4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL6683582 | 0.79 | KCNN4 (0.46) | KCNN4TSHRALDH1A1TDP1LMNA | |
| SCHEMBL6683028 | 0.79 | KCNN4 (0.46) | KCNN4TSHRALDH1A1TDP1LMNA |
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 |