Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.43 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29463710 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL31281983 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL677653 | 0.79 | ALDH1A1 (0.48) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL12124161 | 0.77 | ALDH1A1 (0.46) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL7303415 | 0.77 | NSD2 (0.40) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL82369 | 0.76 | ALDH1A1 (0.52) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL3673336 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL3668935 | 0.74 | CYP2A6 (0.45) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL7128617 | 0.74 | PTPN22 (0.45) | ALDH1A1HSD17B10HPGDCYP3A4TSHR | |
| SCHEMBL3669260 | 0.74 | ALDH1A1 (0.43) | ALDH1A1HSD17B10HPGDCYP3A4TSHR |
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 |