Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | NOS2 | P35228 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.35 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.35 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL24197359 | 0.86 | THRA (0.35) | CES2CES1NOS2MAPT | |
| SCHEMBL24790537 | 0.77 | THRA (0.35) | ALDH1A1EPHX1NPC1MAPTRAB9A | |
| SCHEMBL27702215 | 0.76 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL336086 | 0.76 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL18533705 | 0.75 | PIK3CD (0.32) | — | |
| SCHEMBL18849431 | 0.74 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL761937 | 0.74 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| Water SCHEMBL11679290 | 0.74 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| Water SCHEMBL11679288 | 0.74 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11688563 | 0.74 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017024996-A1 | HYDROXY AMIDINE DERIVATIVE, PREPARATION METHOD AND USE IN MEDICINE THEREOF | 江苏恒瑞医药股份有限公司 | 2017-02-16 | — | — | WO | disclosed |