Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 7/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | RORC | P51449 | 5/20 | 0.36 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL25004757 | 0.68 | MAPT (0.40) | TSHRSMN1; SMN2OPRK1KDM1AMAOA | |
| SCHEMBL27604008 | 0.68 | SLC18A3 (0.58) | TSHRPOLBSMN1; SMN2SLC18A3 | |
| SCHEMBL27904809 | 0.65 | SLC6A2 (0.48) | POLBSLC18A3CHRM1KDM1AMAOA | |
| SCHEMBL32672198 | 0.64 | RORC (0.55) | TSHRRORCKMT2A | |
| SCHEMBL3449472 | 0.64 | SLC18A3 (0.41) | POLBSLC18A3KMT2A | |
| SCHEMBL8179405 | 0.64 | SLC18A3 (0.41) | POLBSLC18A3KMT2A | |
| Acetic Acid SCHEMBL9939161 | 0.64 | NR1I2 (0.42) | POLBRORCNR1I2SMN1; SMN2NPSR1 | |
| SCHEMBL675074 | 0.63 | TSHR (0.62) | TSHRPOLBSLC18A3KMT2A | |
| SCHEMBL1415636 | 0.62 | KDM1A (0.54) | KDM1AMAOAMAOB | |
| SCHEMBL27955088 | 0.61 | MAPK1 (0.47) | CHRM1KDM1AMAOAMAOB |
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-2012082947-A1 | COMPOUNDS AND COMPOSITIONS AS TGR5 AGONISTS | IRM LLC (BM) | 2012-06-21 | — | — | WO | disclosed |