Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | F2 | P00734 | 1/20 | 0.49 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27976876 | 0.90 | TSHR (0.55) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL3327337 | 0.78 | CA1 (0.52) | ALDH1A1CES2CES1ACHETDP1 | |
| SCHEMBL4203388 | 0.77 | TSHR (0.67) | TSHRLMNAALDH1A1ALOX15F2 | |
| Ammonia Solution, Strong SCHEMBL28690710 | 0.77 | CA1 (0.50) | LMNAALDH1A1CES2CES1TP53 | |
| SCHEMBL6273333 | 0.76 | TSHR (0.64) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL30043252 | 0.76 | TSHR (0.64) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL7929197 | 0.75 | F2 (0.63) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL2955782 | 0.75 | F2 (0.63) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL5609078 | 0.74 | TSHR (0.61) | TSHRLMNAALDH1A1ALOX15F2 | |
| SCHEMBL9628075 | 0.74 | TSHR (0.61) | TSHRLMNAALDH1A1ALOX15F2 |
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-109369724-B | Organic arsenic compound and application thereof | 兰州大学 | 2021-03-09 | — | — | CN | disclosed |