Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.56 |
| ▸ | CES2 | O00748 | 3/20 | 0.52 |
| ▸ | CES1 | P23141 | 3/20 | 0.52 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.39 |
| ▸ | BAD | Q92934 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL115334 | 0.84 | CES2 (0.71) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL29798953 | 0.82 | CES2 (0.68) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL28742361 | 0.82 | CES2 (0.68) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL27740942 | 0.78 | CES2 (0.49) | KEAP1CES2CES1ALDH1A1MEN1 | |
| SCHEMBL30925630 | 0.76 | KDM4E (0.61) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL416879 | 0.76 | KDM4E (0.61) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL109155 | 0.75 | KDM4E (0.56) | ALDH1A1KDM4EMEN1KMT2ALMNA | |
| Formic Acid SCHEMBL28119411 | 0.75 | CES2 (0.59) | KEAP1CES2CES1BCL2L1BAD | |
| Hydrochloric Acid SCHEMBL6984724 | 0.74 | KMT2A (0.64) | KEAP1CES2CES1ALDH1A1KDM4E | |
| SCHEMBL415930 | 0.74 | HCAR1 (0.59) | KEAP1CES2CES1LDHABCL2L1 |
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-101421392-A | Use of indanoyl amide to stimulate secondary metabolism in taxus sp | PHYTON BIOTECH INC (US) | 2009-04-29 | — | — | CN | disclosed |