Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 6/20 | 0.52 |
| ▸ | SRC | P12931 | 1/20 | 0.40 |
| ▸ | MLYCD | O95822 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3345524 | 0.74 | CES1 (0.50) | CES1SRCMLYCDTSHRMAPT | |
| SCHEMBL11475855 | 0.73 | CES1 (0.59) | CES1SRCMLYCDTSHRMAPT | |
| SCHEMBL3345516 | 0.73 | CES1 (0.53) | CES1SRCMLYCDTSHRMAPT | |
| SCHEMBL14645923 | 0.72 | CES1 (0.56) | CES1SRCTSHRMAPTHSD17B10 | |
| SCHEMBL11474520 | 0.70 | CES1 (0.55) | CES1SRCMLYCDTSHRHSD17B10 | |
| SCHEMBL3134419 | 0.70 | CES1 (0.60) | CES1SRCMLYCDTSHRMAPT | |
| SCHEMBL669434 | 0.69 | CES1 (0.58) | CES1SRCTSHRMAPTHSD17B10 | |
| SCHEMBL33083 | 0.69 | CES1 (1.00) | CES1MLYCDTSHRCES2ALDH1A1 | |
| SCHEMBL7907262 | 0.69 | CES1 (0.73) | CES1SRCMLYCDTSHRMAPT | |
| Benzene SCHEMBL27672585 | 0.69 | CES1 (1.00) | CES1MLYCDTSHRCES2ALDH1A1 |
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-107677735-A | A kind of HPLC analysis methods of (S) 2 aminopropanol | 上海朴颐化学科技有限公司 | 2018-02-09 | — | — | CN | disclosed |