Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 1/20 | 0.43 |
| ▸ | HBB | P68871 | 1/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.41 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| SCHEMBL25955724 | 0.77 | CNR2 (0.42) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL7218852 | 0.76 | ALDH1A1 (0.48) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL2153752 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL29487594 | 0.76 | ALDH1A1 (0.54) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL7305016 | 0.74 | CYP1A2 (0.46) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL80491 | 0.73 | ALDH1A1 (0.52) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL5250994 | 0.73 | ALDH1A1 (0.44) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL15351928 | 0.73 | CYP2A6 (0.44) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL688181 | 0.73 | NQO2 (0.61) | ALDH1A1HSD17B10CYP3A4HIF1ATDP1 | |
| SCHEMBL7306652 | 0.73 | NQO2 (0.61) | ALDH1A1HSD17B10CYP3A4HIF1ACYP1B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5629406-A | AMINO ACID DERIVATIVES | SANKYO COMPANY, LIMITED (JP) | 1997-05-13 | — | — | US | disclosed |
| EP-0587311-A1 | Peptides capable of inhibiting the activity of HIV protease, their preparation and their therapeutic use | SANKYO COMPANY LIMITED (JP) | 1994-03-16 | — | — | EP | disclosed |