Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | POLB | P06746 | 1/20 | 0.52 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL193275 | 0.86 | TSHR (0.68) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL30443852 | 0.86 | TSHR (0.68) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL10623574 | 0.84 | TSHR (0.70) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL27808215 | 0.81 | TSHR (0.66) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL28001084 | 0.81 | TSHR (0.66) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL1981486 | 0.80 | KMT2A (0.67) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL544644 | 0.80 | TSHR (0.68) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL6924189 | 0.79 | TSHR (0.72) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL1026971 | 0.79 | TSHR (0.62) | HSP90AA1TSHRCES2CES1MAPT | |
| SCHEMBL17303445 | 0.79 | TSHR (0.77) | TSHRCES2CES1MAPTSMN1; 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-105753840-A | Method for synthesizing dabigatran etexilate intermediate | 江西胜富化工有限公司 | 2016-07-13 | — | — | CN | disclosed |