Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 6/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL13286212 | 1.00 | HSD17B10 (0.47) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL16770697 | 1.00 | HSD17B10 (0.47) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL13286213 | 1.00 | HSD17B10 (0.47) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL14221807 | 1.00 | HSD17B10 (0.47) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL6983984 | 0.95 | THRB (0.53) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL6976048 | 0.95 | THRB (0.53) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL16126907 | 0.93 | CYP2D6 (0.55) | HSD17B10THRBCYP2D6CA2MAPT | |
| SCHEMBL16126902 | 0.93 | CYP2D6 (0.55) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL16126900 | 0.93 | CYP2D6 (0.55) | HSD17B10THRBCYP2D6CA2ALDH1A1 | |
| SCHEMBL16126847 | 0.93 | CYP2D6 (0.55) | HSD17B10THRBCYP2D6CA2ALDH1A1 |
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-2010078396-A2 | COMPOUNDS, INTERMEDIATES, AND METHODS OF PREPARING THE SAME | EMORY UNIVERSITY (US) | 2010-07-08 | — | — | WO | disclosed |