Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.47 |
| ▸ | HTT | P42858 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
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 | 0.85 | MAPK1 (0.47) | TSHRSMN1; SMN2ALDH1A1MAPK1PKM | |
| SCHEMBL16004016 | 0.83 | PKM (0.43) | TSHRSMN1; SMN2ALDH1A1HTTLMNA | |
| SCHEMBL16004010 | 0.81 | PKM (0.55) | SMN1; SMN2ALDH1A1HTTLMNAPKM | |
| SCHEMBL16004255 | 0.80 | L3MBTL1 (0.44) | TSHRSMN1; SMN2LMNAMAPK1PKM | |
| SCHEMBL16004100 | 0.79 | EBP (0.44) | ALDH1A1MAPK1MEN1KMT2ANPSR1 | |
| SCHEMBL16004256 | 0.79 | L3MBTL1 (0.42) | TSHRSMN1; SMN2ALDH1A1HTTLMNA | |
| SCHEMBL16004262 | 0.79 | L3MBTL1 (0.45) | TSHRSMN1; SMN2ALDH1A1HTTLMNA | |
| SCHEMBL16004098 | 0.77 | PKM (0.50) | TSHRSMN1; SMN2ALDH1A1MAPK1PKM | |
| SCHEMBL16004325 | 0.76 | RORC (0.44) | SMN1; SMN2ALDH1A1HTTLMNAHSD17B10 | |
| SCHEMBL16004329 | 0.76 | MAPK1 (0.54) | TSHRSMN1; SMN2ALDH1A1HTTLMNA |
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 |