Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004225 | 0.88 | MAPT (0.40) | GAATSHRS1PR1MAPTGPR142 | |
| SCHEMBL16004229 | 0.82 | PKM (0.46) | GAATSHRALDH1A1LMNAMAPT | |
| SCHEMBL16004015 | 0.82 | RORC (0.42) | GAATSHRALDH1A1LMNARORC | |
| SCHEMBL16004107 | 0.82 | PKM (0.45) | TSHRALDH1A1LMNARORCKMT2A | |
| SCHEMBL16004335 | 0.81 | MEN1 (0.43) | GAATSHRALDH1A1MAPTKMT2A | |
| SCHEMBL16004099 | 0.81 | PKM (0.52) | GAATSHRALDH1A1LMNAMAPT | |
| SCHEMBL16004326 | 0.80 | PKM (0.46) | GAATSHRALDH1A1LMNAMAPT | |
| SCHEMBL16004296 | 0.76 | MEN1 (0.42) | ALDH1A1GPR142KMT2AMEN1 | |
| SCHEMBL16004006 | 0.76 | GPR142 (0.45) | GAATSHRALDH1A1LMNAS1PR1 | |
| SCHEMBL16004164 | 0.75 | RORC (0.44) | GAATSHRALDH1A1LMNAMAPT |
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 |