Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.69 |
| ▸ | TSHR | P16473 | 3/20 | 0.69 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.47 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.47 |
| ▸ | C1S | P09871 | 1/20 | 0.47 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 4/20 | 0.47 |
| ▸ | TPMT | P51580 | 1/20 | 0.42 |
| ▸ | SELL | P14151 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | RAPGEF4 | Q8WZA2 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Methylamine SCHEMBL28203537 | 0.90 | ALDH1A1 (0.69) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL341533 | 0.89 | ALDH1A1 (0.67) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL26115 | 0.89 | — | — | |
| Hydroxyamine SCHEMBL16975254 | 0.86 | ALDH1A1 (0.64) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL23202758 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL23202757 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL432597 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL25403949 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL1508331 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S | |
| SCHEMBL15228210 | 0.84 | ALDH1A1 (0.61) | ALDH1A1TSHRPRSS1PRSS2C1S |
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-113680386-A | N-heterocyclic carbene-squaramide bifunctional catalyst and preparation method thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-11-23 | — | — | CN | disclosed |
| CN-113680385-A | N-heterocyclic carbene-thiourea double-functional group catalyst and preparation method and application thereof | 深圳湾实验室坪山生物医药研发转化中心 | 2021-11-23 | — | — | CN | disclosed |