Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | HTT | P42858 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.38 |
| ▸ | GMNN | O75496 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | THPO | P40225 | 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 | |
|---|---|---|---|---|
| SCHEMBL247478 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL29364156 | 0.75 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL13403464 | 0.75 | HDAC8 (0.43) | ALDH1A1MAPTKDM4EPOLBNPC1 | |
| SCHEMBL25524327 | 0.73 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ELMNACYP3A4 | |
| SCHEMBL25342075 | 0.71 | BCHE (0.42) | ALDH1A1MAPTKDM4EHTTSMN1; SMN2 | |
| SCHEMBL8194 | 0.68 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL30099834 | 0.68 | ALDH1A1 (0.67) | ALDH1A1MAPTKDM4EHTTLMNA | |
| SCHEMBL6512973 | 0.67 | ALDH1A1 (0.41) | ALDH1A1MAPTKDM4ELMNACYP3A4 | |
| SCHEMBL5187065 | 0.66 | ACHE (0.46) | — | |
| Hydrochloric Acid SCHEMBL3704751 | 0.66 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4EHTTLMNA |
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-103531748-A | Method for preparing active material of lithium ion battery electrode | UNIV TSINGHUA | 2014-01-22 | — | — | CN | disclosed |