Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | HAAO | P46952 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.41 |
| ▸ | GABRD | O14764 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.41 |
| ▸ | GABRE | P78334 | 1/20 | 0.41 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.41 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.41 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.41 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL128319 | 0.87 | CYP1A2 (0.58) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL31389208 | 0.87 | CYP1A2 (0.58) | CYP1A2TSHRHAAOGABRPGABRD | |
| Ammonia Solution, Strong SCHEMBL29137499 | 0.85 | CYP1A2 (0.55) | CYP1A2TSHRHAAOGABRPGABRD | |
| Cyclohexane SCHEMBL253627 | 0.80 | CYP1A2 (0.50) | CYP1A2TSHRHAAOGABRPGABRD | |
| SCHEMBL28414255 | 0.79 | MAPT (0.46) | CYP1A2TSHRHAAOGABRPGABRD | |
| Ethylene Glycol SCHEMBL25205438 | 0.78 | CYP1A2 (0.48) | CYP1A2TSHRHAAOGABRPGABRD | |
| Ethylene Glycol SCHEMBL10545807 | 0.78 | CYP1A2 (0.48) | CYP1A2TSHRHAAOGABRPGABRD | |
| Ethylene Glycol SCHEMBL32685379 | 0.78 | CYP1A2 (0.48) | CYP1A2TSHRHAAOGABRPGABRD | |
| Terephthalic Acid SCHEMBL3694747 | 0.78 | ALDH1A1 (0.61) | CYP1A2TSHRALDH1A1ALOX15MYC | |
| SCHEMBL29370019 | 0.78 | CYP1A2 (0.48) | CYP1A2TSHRHAAOGABRPGABRD |
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-104860997-A | 2,5-dimethyl thioterephthalic acid bridged bismolybdenum complex, and preparation method thereof and application thereof in molecular devices | UNIV JINAN | 2015-08-26 | — | — | CN | claimed |