Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.58 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.58 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18812 | 0.86 | — | — | |
| SCHEMBL28381795 | 0.83 | ALDH1A1 (0.39) | TSHRALOX12CA12CA9CYP2C19 | |
| Hydrochloric Acid SCHEMBL8530750 | 0.83 | ALDH1A1 (0.39) | TSHRALOX12CA12CA9CYP2C19 | |
| SCHEMBL2146469 | 0.80 | ALDH1A1 (0.55) | ACHETSHRLMNAALOX12CA9 | |
| Nitrogen SCHEMBL4342761 | 0.80 | ALDH1A1 (0.38) | TSHRALOX12CA12CA9CYP2C19 | |
| Toluene SCHEMBL30089007 | 0.80 | — | — | |
| Toluene SCHEMBL14537407 | 0.78 | TSHR (0.65) | ACHETSHRLMNAALOX12CA12 | |
| Toluene SCHEMBL28564934 | 0.78 | TSHR (0.65) | ACHETSHRLMNAALOX12CA12 | |
| Toluene SCHEMBL5141031 | 0.76 | — | — | |
| Toluene SCHEMBL10989418 | 0.76 | — | — |
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-107235860-A | A kind of synthesis technique of the dichlorophenyl isocyanate of diuron intermediate 3,4 | 安徽广信农化股份有限公司 | 2017-10-10 | — | — | CN | disclosed |