Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | GPR142 | Q7Z601 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 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 | |
|---|---|---|---|---|
| SCHEMBL16003982 | 0.87 | ALDH1A1 (0.45) | ALDH1A1KMT2AKDM4EL3MBTL1HTT | |
| SCHEMBL16004136 | 0.85 | GPR142 (0.46) | ALDH1A1KMT2ASMN1; SMN2L3MBTL1GPR142 | |
| SCHEMBL16004302 | 0.83 | ALDH1A1 (0.51) | ALDH1A1KMT2ASMN1; SMN2L3MBTL1HTT | |
| SCHEMBL16004298 | 0.83 | ALDH1A1 (0.49) | ALDH1A1KDM4ESMN1; SMN2HTTGPR142 | |
| SCHEMBL16003973 | 0.81 | TSHR (0.46) | ALDH1A1KMT2AKDM4EMEN1SMN1; SMN2 | |
| SCHEMBL16003972 | 0.81 | HSD11B1 (0.45) | ALDH1A1L3MBTL1GPR142HSD11B1RIPK1 | |
| SCHEMBL16004143 | 0.80 | LMNA (0.43) | ALDH1A1KDM4ESMN1; SMN2HTTGPR142 | |
| SCHEMBL16003978 | 0.80 | L3MBTL1 (0.45) | ALDH1A1KMT2AMEN1SMN1; SMN2L3MBTL1 | |
| SCHEMBL16004311 | 0.80 | GPR142 (0.64) | ALDH1A1HTTGPR142NPC1RAB9A | |
| SCHEMBL16004138 | 0.79 | SIGMAR1 (0.48) | KMT2AMEN1GPR142NPC1 |
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 |