Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.39 |
| ▸ | MEN1 | O00255 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL7165197 | 0.91 | ALDH1A1 (0.44) | ALDH1A1HSD17B10MAPK1THRBNPC1 | |
| SCHEMBL7371091 | 0.88 | ITGB3 (0.44) | ALDH1A1HSD17B10MAPK1SMN1; SMN2TSHR | |
| SCHEMBL13170308 | 0.88 | ITGB3 (0.48) | ALDH1A1HSD17B10MAPK1 | |
| SCHEMBL7371688 | 0.87 | ITGB3 (0.40) | ALDH1A1HSD17B10MAPK1THRBNPC1 | |
| SCHEMBL7474158 | 0.87 | ITGB3 (0.48) | ALDH1A1HSD17B10MAPK1THRBNPC1 | |
| SCHEMBL7365578 | 0.86 | THRB (0.42) | ALDH1A1HSD17B10MAPK1THRBTSHR | |
| SCHEMBL7478067 | 0.85 | PTPN1 (0.44) | ALDH1A1HSD17B10MAPK1THRBNPC1 | |
| SCHEMBL7479810 | 0.84 | MAPT (0.44) | ALDH1A1HSD17B10MAPK1NPC1RAB9A | |
| SCHEMBL7364374 | 0.84 | ITGB3 (0.44) | ALDH1A1HSD17B10THRBSMN1; SMN2TSHR | |
| SCHEMBL7370604 | 0.84 | ITGB3 (0.46) | ALDH1A1HSD17B10MAPK1THRBNPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0964856-B1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 2002-10-09 | — | — | EP | disclosed |
| EP-0964856-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GmbH (DE) | 1999-12-22 | — | — | EP | disclosed |
| WO-1998035949-A1 | BICYCLIC AMINO ACIDS | MERCK PATENT GMBH (DE) | 1998-08-20 | — | — | WO | disclosed |