Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CTSD | P07339 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | APEX1 | P27695 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2870921 | 0.81 | TSHR (0.62) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1697511 | 0.81 | ALDH1A1 (0.59) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL12920010 | 0.80 | TSHR (0.51) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6792974 | 0.80 | TSHR (0.51) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL23909592 | 0.80 | TSHR (0.47) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| Water SCHEMBL28574745 | 0.80 | ALDH1A1 (0.58) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29626558 | 0.76 | ALDH1A1 (0.61) | TSHRALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL187697 | 0.76 | ALDH1A1 (0.61) | TSHRALDH1A1CYP1A2CYP3A4CYP2C19 | |
| SCHEMBL28817948 | 0.76 | ALDH1A1 (0.39) | TSHRALDH1A1GPR35ERN1CTSD | |
| Acetone SCHEMBL27618861 | 0.75 | TDP1 (0.52) | TSHRALDH1A1CYP1A2CYP3A4CYP2D6 |
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-106103417-A | Derivant of 1,2 naphthoquinone and preparation method thereof | KT&G生命科学公司 | 2016-11-09 | — | — | CN | disclosed |