Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 7/20 | 0.50 |
| ▸ | PKLR | P30613 | 4/20 | 0.50 |
| ▸ | CNR1 | P21554 | 2/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.39 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 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 | |
|---|---|---|---|---|
| SCHEMBL16004326 | 0.88 | PKM (0.46) | PKMPKLRCNR1RIPK1NTRK1 | |
| SCHEMBL16004327 | 0.88 | PKM (0.51) | PKMPKLRNTRK1ALDH1A1LMNA | |
| SCHEMBL16004019 | 0.86 | PKM (0.44) | PKMPKLRRIPK1NTRK1ALDH1A1 | |
| SCHEMBL16004012 | 0.85 | NPC1 (0.41) | PKMPKLRRIPK1NTRK1ALDH1A1 | |
| SCHEMBL16004260 | 0.82 | CCR3 (0.50) | ALDH1A1MAPTLMNAMEN1MAPK1 | |
| SCHEMBL16004338 | 0.81 | LMNA (0.39) | PKMPKLRCNR1RIPK1NTRK1 | |
| SCHEMBL16004332 | 0.80 | SMN1; SMN2 (0.50) | ALDH1A1MAPTLMNAMEN1MAPK1 | |
| SCHEMBL16004330 | 0.80 | PKM (0.46) | PKMPKLRALDH1A1LMNAMEN1 | |
| SCHEMBL16004229 | 0.79 | PKM (0.46) | PKMPKLRALDH1A1MAPTLMNA | |
| SCHEMBL16004333 | 0.79 | PKM (0.47) | PKMPKLRNTRK1ALDH1A1LMNA |
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 |