Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | CTSS | P25774 | 3/20 | 0.33 |
| ▸ | CTSK | P43235 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Water SCHEMBL31742532 | 1.00 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL1268268 | 1.00 | ALDH1A1 (0.33) | ALDH1A1MEN1KMT2ACYP1A2THRB | |
| SCHEMBL2641565 | 0.87 | CTSS (0.36) | ALDH1A1MEN1KMT2ACTSSCTSK | |
| SCHEMBL8742495 | 0.87 | CTSS (0.36) | ALDH1A1MEN1KMT2ACTSSCTSK | |
| SCHEMBL8380007 | 0.84 | CES2 (0.40) | ALDH1A1MEN1KMT2AHSD17B10TSHR | |
| SCHEMBL8378502 | 0.84 | CES2 (0.40) | ALDH1A1MEN1KMT2AHSD17B10TSHR | |
| SCHEMBL19033746 | 0.81 | — | — | |
| SCHEMBL4850151 | 0.81 | — | — | |
| SCHEMBL28418333 | 0.80 | ACLY (0.39) | ALDH1A1CYP1A2TSHRCYP2D6CYP2C19 | |
| SCHEMBL28596559 | 0.77 | MEN1 (0.35) | ALDH1A1MEN1KMT2ATHRBCTSS |
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-113149823-A | 2-R1Preparation method of valeric acid | 上海青平药业有限公司 | 2021-07-23 | — | — | CN | claimed |
| CN-113149823-A | 2-R1Preparation method of valeric acid | 上海青平药业有限公司 | 2021-07-23 | — | — | CN | disclosed |