Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 5/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.43 |
| ▸ | PKM | P14618 | 4/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004161 | 0.89 | MAPK1 (0.47) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL16004107 | 0.83 | PKM (0.45) | MEN1KMT2APKMALDH1A1TSHR | |
| SCHEMBL16004229 | 0.83 | PKM (0.46) | KMT2APKMALDH1A1MAPK1TSHR | |
| SCHEMBL16004015 | 0.83 | RORC (0.42) | PKMALDH1A1MAPK1TSHRGAA | |
| SCHEMBL16004442 | 0.81 | RAB9A (0.43) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL16004162 | 0.81 | GAA (0.40) | MEN1KMT2AALDH1A1TSHRGAA | |
| SCHEMBL16004326 | 0.81 | PKM (0.46) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL16004099 | 0.80 | PKM (0.52) | MEN1KMT2APKMALDH1A1MAPK1 | |
| SCHEMBL16004262 | 0.79 | L3MBTL1 (0.45) | MEN1KMT2AALDH1A1MAPK1TSHR | |
| SCHEMBL16004140 | 0.79 | LMNA (0.44) | MEN1KMT2APKMALDH1A1GAA |
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-2014133414-A2 | HETEROCYCLIC TGR5 BILE ACID RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITION, METHODS FOR THE PRODUCTION AND USE THEREOF | АЛЛА ХЕМ ЛЛС (US) | 2014-09-04 | — | — | WO | disclosed |