Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.35 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA1 | P00915 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.34 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1053938 | 1.00 | ALDH1A1 (0.42) | ALDH1A1TSHRCYP2A6HDAC8ACHE | |
| SCHEMBL13201579 | 0.89 | CYP2A6 (0.42) | ALDH1A1TSHRCYP2A6HDAC8TDP1 | |
| SCHEMBL1478591 | 0.88 | HDAC8 (0.43) | ALDH1A1HDAC8TDP1CA2CA12 | |
| SCHEMBL6279069 | 0.87 | ALDH1A1 (0.38) | ALDH1A1TSHRCYP2A6ACHETDP1 | |
| SCHEMBL23059787 | 0.86 | PTPN1 (0.40) | ALDH1A1TSHRACHEKCNH2CA2 | |
| SCHEMBL121302 | 0.85 | — | — | |
| Bromide SCHEMBL28139811 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| SCHEMBL28344843 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| Hydrochloric Acid SCHEMBL28998656 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 | |
| SCHEMBL27596658 | 0.83 | ALDH1A1 (0.50) | ALDH1A1CYP2A6HDAC8ACHETDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7084231-B2 | Polyarylene compounds, polymers thereof, and electroluminescence element using the same | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2006-08-01 | — | — | US | disclosed |
| US-20050176915-A1 | Polyarylene compounds, polymers thereof, and electroluminescence element using the same | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 2005-08-11 | — | — | US | disclosed |