Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 6/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | RORC | P51449 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | PKLR | P30613 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16004164 | 0.91 | RORC (0.44) | PKMMAPTRORCALDH1A1LMNA | |
| SCHEMBL16004226 | 0.89 | PKM (0.46) | PKMMAPTALDH1A1SMN1; SMN2HTT | |
| SCHEMBL16004228 | 0.87 | PKM (0.52) | PKMSMN1; SMN2HTTLMNAGAA | |
| SCHEMBL16004163 | 0.86 | PKM (0.49) | PKMMAPTRORCALDH1A1LMNA | |
| SCHEMBL16004325 | 0.83 | RORC (0.44) | PKMMAPTRORCALDH1A1SMN1; SMN2 | |
| SCHEMBL16004107 | 0.82 | PKM (0.45) | PKMTDP1RORCALDH1A1SMN1; SMN2 | |
| SCHEMBL16004099 | 0.81 | PKM (0.52) | PKMMAPTRORCALDH1A1LMNA | |
| SCHEMBL16004015 | 0.81 | RORC (0.42) | PKMRORCALDH1A1SMN1; SMN2HTT | |
| SCHEMBL16004229 | 0.81 | PKM (0.46) | PKMMAPTRORCALDH1A1HTT | |
| SCHEMBL16004262 | 0.80 | L3MBTL1 (0.45) | MAPTTDP1RORCALDH1A1SMN1; SMN2 |
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 |