Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | CES1 | P23141 | 3/20 | 0.39 |
| ▸ | NAAA | Q02083 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 4/20 | 0.36 |
| ▸ | MMP9 | P14780 | 4/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | MMP13 | P45452 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
| ▸ | NR5A2 | O00482 | 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 | |
|---|---|---|---|---|
| Hexane SCHEMBL27462417 | 0.81 | CES2 (0.41) | CES2CES1NAAACNR2ALDH1A1 | |
| SCHEMBL28480637 | 0.80 | TSHR (0.38) | CES2CES1NAAAALDH1A1 | |
| SCHEMBL27811846 | 0.79 | ALDH1A1 (0.37) | CES2CES1NAAACNR2ALDH1A1 | |
| SCHEMBL27749160 | 0.78 | MAOA (0.37) | ALDH1A1 | |
| SCHEMBL533892 | 0.77 | TSHR (0.36) | CES2CES1NAAAALDH1A1KCNH2 | |
| SCHEMBL5433594 | 0.76 | TSHR (0.37) | CES2CES1NAAAALDH1A1 | |
| SCHEMBL14957998 | 0.76 | TSHR (0.37) | CES2CES1NAAAALDH1A1 | |
| Butyric Acid SCHEMBL11243928 | 0.75 | CES2 (0.38) | CES2CES1CNR2ALDH1A1 | |
| SCHEMBL28787232 | 0.75 | ALDH1A1 (0.34) | CES2CES1NAAACNR2ALDH1A1 | |
| SCHEMBL28271865 | 0.74 | ALDH1A1 (0.39) | ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-100447127-C | Single-component hydrogen-capture-type light initiator and its preparing method and use | UNIV WUHAN (CN) | 2008-12-31 | — | — | CN | disclosed |
| CN-101012180-A | Single-component hydrogen-capture-type light initiator and its preparing method and use | UNIV WUHAN (CN) | 2007-08-08 | — | — | CN | disclosed |