Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA9 | Q16790 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RRM2 | P31350 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 5/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.34 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL653171 | 0.82 | — | — | |
| Lithium Ion SCHEMBL28340040 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10CA1CA9 | |
| Water SCHEMBL28179339 | 0.76 | ALDH1A1 (0.62) | ALDH1A1HPGDHSD17B10CA1CA9 | |
| SCHEMBL517626 | 0.74 | ALDH1A1 (0.39) | ALDH1A1CA1CA9CYP1A2GAA | |
| Thiourea SCHEMBL5852257 | 0.73 | TSHR (0.46) | CYP1A2SMN1; SMN2LMNAATM | |
| Bicarbonate SCHEMBL4615338 | 0.73 | CYP1A2 (0.57) | ALDH1A1HPGDHSD17B10CA1CA9 | |
| Urea SCHEMBL15483993 | 0.73 | CYP1A2 (0.50) | ALDH1A1HPGDCYP1A2GAASMN1; SMN2 | |
| Urea SCHEMBL10914180 | 0.73 | CYP1A2 (0.50) | ALDH1A1HPGDCYP1A2GAASMN1; SMN2 | |
| Bicarbonate SCHEMBL5708571 | 0.73 | CYP1A2 (0.57) | ALDH1A1HPGDHSD17B10CA1CA9 | |
| Urea SCHEMBL51851 | 0.73 | CYP1A2 (0.50) | ALDH1A1HPGDCYP1A2GAASMN1; SMN2 |
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-109632697-A | A kind of method of illegal additive in quick identification baby formula milk powder | 广东出入境检验检疫局检验检疫技术中心 | 2019-04-16 | — | — | CN | disclosed |