Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.48 |
| ▸ | FKBP1A | P62942 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.42 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GPR142 | Q7Z601 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16003978 | 0.92 | L3MBTL1 (0.45) | ALDH1A1KMT2AFKBP1APOLBL3MBTL1 | |
| SCHEMBL16004136 | 0.91 | GPR142 (0.46) | ALDH1A1KMT2AL3MBTL1RIPK1CREBBP | |
| SCHEMBL16004139 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2AL3MBTL1RIPK1NPC1 | |
| SCHEMBL16004148 | 0.79 | GPR142 (0.46) | ALDH1A1KMT2AL3MBTL1RIPK1CREBBP | |
| SCHEMBL16004165 | 0.79 | GPR142 (0.42) | ALDH1A1KMT2AL3MBTL1RIPK1CREBBP | |
| SCHEMBL16004153 | 0.79 | GPR142 (0.42) | ALDH1A1KMT2AL3MBTL1RIPK1CREBBP | |
| SCHEMBL16004149 | 0.79 | GPR142 (0.42) | ALDH1A1KMT2AL3MBTL1RIPK1CREBBP | |
| SCHEMBL16003982 | 0.79 | ALDH1A1 (0.45) | ALDH1A1KMT2APOLBL3MBTL1RIPK1 | |
| SCHEMBL16004298 | 0.79 | ALDH1A1 (0.49) | ALDH1A1POLBRIPK1GAALMNA | |
| SCHEMBL16004138 | 0.79 | SIGMAR1 (0.48) | KMT2AMAPTNPC1GPR142 |
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 |