Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2764168 | 1.00 | THRB (0.40) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL28519187 | 0.95 | THRB (0.40) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL14812399 | 0.95 | THRB (0.40) | THRBTSHRHSD17B10CES2CTSL | |
| Oxalic Acid SCHEMBL28379433 | 0.83 | HSD17B10 (0.46) | THRBTSHRHSD17B10CES2GMNN | |
| SCHEMBL28468068 | 0.82 | TSHR (0.42) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL1964779 | 0.74 | TSHR (0.44) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL10558331 | 0.72 | TSHR (0.42) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL28253481 | 0.67 | TSHR (0.50) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL24370114 | 0.66 | THRB (0.57) | THRBTSHRHSD17B10CES2CTSL | |
| SCHEMBL199156 | 0.66 | THRB (0.57) | THRBTSHRHSD17B10CES2CTSL |
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 |
|---|---|---|---|---|---|---|---|
| EP-0282069-B1 | BICYCLIC AMINOCATALYSTS | RWE-DEA Aktiengesellschaft für Mineraloel und Chemie (DE) | 1993-06-09 | — | — | EP | disclosed |