Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.35 |
| ▸ | SCN1A | P35498 | 1/20 | 0.34 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.34 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7235411 | 0.91 | ALDH1A1 (0.37) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL7233366 | 0.85 | NPC1 (0.43) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL5095083 | 0.84 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL5095256 | 0.83 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL5557935 | 0.81 | ALDH1A1 (0.51) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL5108935 | 0.79 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL5109264 | 0.77 | ALDH1A1 (0.45) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 | |
| SCHEMBL7242728 | 0.77 | GAA (0.47) | ALDH1A1NPC1HPGDSMN1; SMN2MAPT | |
| SCHEMBL254063 | 0.76 | CYP3A4 (0.59) | ALDH1A1HSD17B10TSHRCYP3A4SNCA | |
| SCHEMBL5101798 | 0.75 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRCYP3A4NPC1 |
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-1997006138-A1 | 4-MERCAPTOPYRROLIDINE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS | ZENECA LIMITED (GB) | 1997-02-20 | — | — | WO | disclosed |