Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | SNCA | P37840 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL7235417 | 0.94 | ALDH1A1 (0.40) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL7233370 | 0.88 | ALDH1A1 (0.40) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5095083 | 0.83 | ALDH1A1 (0.51) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5557935 | 0.80 | ALDH1A1 (0.51) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5095256 | 0.79 | ALDH1A1 (0.45) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL7233366 | 0.79 | NPC1 (0.43) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL5108935 | 0.78 | ALDH1A1 (0.46) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL26046537 | 0.77 | CA12 (0.56) | NPC1TSHRALDH1A1HSD17B10CYP3A4 | |
| SCHEMBL7242732 | 0.77 | NPC1 (0.44) | NPC1ALDH1A1MEN1KMT2AMAPT | |
| SCHEMBL5109264 | 0.76 | ALDH1A1 (0.45) | NPC1TSHRALDH1A1HSD17B10CYP3A4 |
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 |