Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | HAAO | P46952 | 1/20 | 0.35 |
| ▸ | GABRP | O00591 | 1/20 | 0.35 |
| ▸ | GABRD | O14764 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.35 |
| ▸ | GABRE | P78334 | 1/20 | 0.35 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.35 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.35 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.35 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10333650 | 0.85 | POLB (0.47) | ALDH1A1HSD17B10HPGDCA2CDC25B | |
| SCHEMBL6334298 | 0.79 | CYP1A2 (0.48) | CYP1A2ALOX15HAAOGABRPGABRD | |
| SCHEMBL10333885 | 0.77 | TSHR (0.38) | CYP1A2ALOX15ALDH1A1HPGDCA1 | |
| SCHEMBL27316603 | 0.76 | ALDH1A1 (0.40) | CYP1A2ALOX15HAAOGABRPGABRD | |
| SCHEMBL139141 | 0.75 | CYP1A2 (0.44) | CYP1A2ALOX15HAAOGABRPGABRD | |
| SCHEMBL1501399 | 0.75 | CYP1A2 (0.44) | CYP1A2ALOX15HAAOGABRPGABRD | |
| SCHEMBL29400914 | 0.75 | CYP1A2 (0.44) | CYP1A2ALOX15HAAOGABRPGABRD | |
| SCHEMBL27412126 | 0.74 | NPSR1 (0.44) | ALDH1A1HPGDMMP1MMP2MMP9 | |
| Benzene SCHEMBL28845411 | 0.74 | ALDH1A1 (0.46) | CYP1A2ALOX15HAAOALDH1A1HSD17B10 | |
| SCHEMBL4123194 | 0.74 | SELL (0.50) | CYP1A2ALOX15ALDH1A1HSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-4914231-A | RECRYSTALLIZING FROM WATER-ACETIC ACID MIXTURE | NEW JAPAN CHEMICAL CO., LTD. (JP) | 1990-04-03 | — | — | US | disclosed |