Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CPT1A | P50416 | 5/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CPT1B | Q92523 | 4/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | CPT2 | P23786 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004261 | 0.92 | LMNA (0.48) | LMNASMN1; SMN2ALDH1A1POLBKDM4E | |
| SCHEMBL16004260 | 0.82 | CCR3 (0.50) | LMNAALDH1A1KDM4ETSHRMEN1 | |
| SCHEMBL16004256 | 0.82 | L3MBTL1 (0.42) | LMNASMN1; SMN2ALDH1A1POLBRAB9A | |
| SCHEMBL16004328 | 0.79 | ALDH1A1 (0.43) | LMNASMN1; SMN2ALDH1A1GAATSHR | |
| SCHEMBL16004325 | 0.79 | RORC (0.44) | LMNASMN1; SMN2ALDH1A1RAB9APKM | |
| SCHEMBL16004226 | 0.78 | PKM (0.46) | LMNASMN1; SMN2ALDH1A1POLBKDM4E | |
| SCHEMBL16004100 | 0.78 | EBP (0.44) | ALDH1A1MEN1KMT2A | |
| SCHEMBL16004010 | 0.78 | PKM (0.55) | LMNASMN1; SMN2ALDH1A1KDM4ERAB9A | |
| SCHEMBL16004016 | 0.77 | PKM (0.43) | LMNASMN1; SMN2ALDH1A1RAB9AGAA | |
| SCHEMBL16004227 | 0.77 | PKM (0.43) | LMNASMN1; SMN2ALDH1A1HPGDRAB9A |
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 |