Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GLA | P06280 | 2/20 | 0.67 |
| ▸ | GUSB | P08236 | 1/20 | 0.57 |
| ▸ | EGFR | P00533 | 9/20 | 0.57 |
| ▸ | ERBB2 | P04626 | 9/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL9702321 | 0.89 | GLA (0.68) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL3777173 | 0.85 | GLA (0.73) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL9701202 | 0.84 | GLA (0.71) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL9701341 | 0.84 | GLA (0.71) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL9702379 | 0.82 | GLA (0.71) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL9702324 | 0.82 | GLA (0.71) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL16151836 | 0.81 | GLA (0.78) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL677158 | 0.81 | GLA (0.78) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL9702344 | 0.81 | GLA (0.73) | GLAGUSBEGFRERBB2ALDH1A1 | |
| SCHEMBL25914166 | 0.81 | GLA (0.65) | GLAGUSBEGFRERBB2ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992010502-A1 | HETEROCYCLIC CARBOXYLIC ESTERS, METHODS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF GASTRO-INTESTINAL MEDICINES | BROCADES PHARMA B.V. (NL) | 1992-06-25 | — | — | WO | disclosed |
| EP-0490450-A1 | Heterocyclic carboxylic esters, methods for their preparation and their use for the preparation of gastrointestinal medicines | YAMANOUCHI EUROPE B.V. (NL) | 1992-06-17 | — | — | EP | disclosed |