Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 2/20 | 0.36 |
| ▸ | PKLR | P30613 | 1/20 | 0.36 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004262 | 0.88 | L3MBTL1 (0.45) | L3MBTL1CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL16004017 | 0.85 | PKM (0.44) | L3MBTL1LMNAMAPK1SMN1; SMN2GPR142 | |
| SCHEMBL16004333 | 0.83 | PKM (0.47) | L3MBTL1LMNAMAPK1SMN1; SMN2GPR142 | |
| SCHEMBL16004012 | 0.82 | NPC1 (0.41) | LMNAMAPK1GPR142KMT2AMEN1 | |
| SCHEMBL16004231 | 0.81 | PKM (0.53) | LMNASMN1; SMN2KMT2AMEN1RORC | |
| SCHEMBL16004230 | 0.80 | PKM (0.46) | L3MBTL1LMNAMAPK1SMN1; SMN2TDP1 | |
| SCHEMBL16004259 | 0.80 | TSHR (0.49) | LMNAMAPK1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL16004261 | 0.80 | LMNA (0.48) | CYP2C19LMNAMAPK1SMN1; SMN2TDP1 | |
| SCHEMBL16004336 | 0.79 | PKM (0.52) | LMNAMAPK1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL16004331 | 0.79 | PKM (0.47) | L3MBTL1MAPK1SMN1; SMN2GPR142RORC |
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 |