Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | GSR | P00390 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TGM2 | P21980 | 2/20 | 0.39 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 1,2-Dichlorobenzene SCHEMBL27814459 | 0.83 | GSR (0.52) | ALDH1A1GSRTSHRLMNACES2 | |
| 1,2-Dichlorobenzene SCHEMBL27801440 | 0.82 | TSHR (0.62) | ALDH1A1TSHRLMNACES2CES1 | |
| Naphthalene SCHEMBL27431193 | 0.80 | ALDH1A1 (0.58) | ALDH1A1LMNACES2CES1HPGD | |
| 1,2-Dichlorobenzene SCHEMBL8528441 | 0.79 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL5147145 | 0.79 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27754908 | 0.79 | TSHR (0.59) | ALDH1A1TSHRLMNACES2CES1 | |
| Biphenyl SCHEMBL27428185 | 0.78 | ALDH1A1 (0.55) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL29087567 | 0.77 | TSHR (0.56) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27435182 | 0.77 | TSHR (0.56) | ALDH1A1TSHRLMNACES2CES1 | |
| 1,2-Dichlorobenzene SCHEMBL27662876 | 0.76 | TSHR (0.62) | ALDH1A1GSRTSHRLMNACES2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1114590-C | Unsaturated oximino ether bactericide | SHENYAN CHEMICAL ENGINEERING I (CN) | 2003-07-16 | — | — | CN | disclosed |
| CN-1309897-A | Unsaturated oximino ether bactericide | SHENYANG CHEMICAL ENGINEERING (CN) | 2001-08-29 | — | — | CN | disclosed |