Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.40 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.37 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | 0.89 | ALDH1A1 (0.42) | CYP2A6PYCR1HDAC8ALDH1A1TSHR | |
| SCHEMBL6004167 | 0.89 | ALDH1A1 (0.42) | CYP2A6PYCR1HDAC8ALDH1A1TSHR | |
| SCHEMBL11938108 | 0.84 | TSHR (0.46) | CYP2A6HCRTR2ALDH1A1TSHRLPL | |
| SCHEMBL13383740 | 0.84 | TSHR (0.46) | CYP2A6HCRTR2ALDH1A1TSHRLPL | |
| SCHEMBL2632330 | 0.84 | TSHR (0.46) | CYP2A6HCRTR2ALDH1A1TSHRLPL | |
| SCHEMBL13383799 | 0.84 | TSHR (0.46) | CYP2A6HCRTR2ALDH1A1TSHRLPL | |
| SCHEMBL935811 | 0.82 | CYP2A6 (0.58) | CYP2A6HDAC8ALDH1A1TSHRLPL | |
| Bromide SCHEMBL28193537 | 0.80 | CYP2A6 (0.56) | CYP2A6HDAC8ALDH1A1TSHRLPL | |
| SCHEMBL4239266 | 0.79 | HCRTR2 (0.41) | HCRTR2ALDH1A1TSHRLPLLIPG | |
| SCHEMBL17735812 | 0.79 | HCRTR2 (0.41) | HCRTR2ALDH1A1TSHRLPLLIPG |
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-7772358-B2 | Polytriazoles constructed by 1,3-dipolar cycloaddition | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2010-08-10 | — | — | US | disclosed |
| US-7772358-B2 | Polytriazoles constructed by 1,3-dipolar cycloaddition | THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) | 2010-08-10 | — | — | US | disclosed |