Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | ELANE | P08246 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B14 | Q9BPX1 | 1/20 | 0.43 |
| ▸ | LDHA | P00338 | 1/20 | 0.42 |
| ▸ | LDHB | P07195 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2905327 | 0.88 | GRM2 (0.49) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL2806000 | 0.83 | ALDH1A1 (0.63) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL975885 | 0.82 | IGFBP5 (0.43) | ALDH1A1ALOX15TSHRHSD17B14 | |
| SCHEMBL3350745 | 0.81 | LMNA (0.62) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL11827386 | 0.81 | IGFBP5 (0.47) | ALDH1A1KDM4EHSD17B10ALOX15TSHR | |
| SCHEMBL2907215 | 0.81 | IGFBP5 (0.42) | ALDH1A1KDM4EHSD17B10ALOX15TSHR | |
| SCHEMBL2908985 | 0.81 | ALOX15 (0.48) | ALDH1A1KDM4EHSD17B10MEN1KMT2A | |
| SCHEMBL2903071 | 0.80 | IGFBP3 (0.44) | ALDH1A1KDM4EMEN1KMT2AL3MBTL1 | |
| SCHEMBL11823904 | 0.80 | IGFBP5 (0.46) | ALDH1A1KDM4EHSD17B10ALOX15TSHR | |
| SCHEMBL3638273 | 0.79 | GRM2 (0.43) | ALDH1A1KDM4EMEN1KMT2ADHODH |
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-105412089-A | Application of compound VS1 in preparation of anti-non-small cell lung cancer medicine | BEIJING COMPUTING CENTER | 2016-03-23 | — | — | CN | disclosed |