Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | GGPS1 | O95749 | 1/20 | 0.39 |
| ▸ | FDPS | P14324 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.39 |
| ▸ | TP53 | P04637 | 3/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.38 |
| ▸ | EPHB3 | P54753 | 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 | |
|---|---|---|---|---|
| SCHEMBL909197 | 0.81 | NPC1 (0.48) | ADORA2AMAPTRAB9ANPC1ADORA3 | |
| SCHEMBL14775707 | 0.79 | NPSR1 (0.47) | ADORA2AMAPTRAB9ANPC1ADORA3 | |
| SCHEMBL7979452 | 0.73 | PTGS1 (0.49) | MAPTRAB9AMAPK1KDM4EALDH1A1 | |
| SCHEMBL28317404 | 0.72 | NPC1 (0.45) | MAPTRAB9ANPC1ADORA3KDM4E | |
| SCHEMBL14781502 | 0.72 | PIK3CA (0.50) | RAB9ANPC1ADORA3GGPS1FDPS | |
| SCHEMBL7980862 | 0.69 | PTGS1 (0.47) | MAPTRAB9ANPC1MAPK1KDM4E | |
| SCHEMBL2261118 | 0.69 | MAPK1 (0.49) | MAPTRAB9AMAPK1GGPS1FDPS | |
| SCHEMBL7981077 | 0.69 | PTGS1 (0.58) | MAPTMAPK1KDM4EALDH1A1HSD17B10 | |
| SCHEMBL12789990 | 0.69 | RAB9A (0.55) | ADORA2AMAPTRAB9ANPC1MAPK1 | |
| SCHEMBL11063491 | 0.69 | MAPK1 (0.58) | ADORA2AMAPTRAB9ANPC1MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6174877-B1 | EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2001-01-16 | — | — | US | disclosed |
| EP-0876370-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1998-11-11 | — | — | EP | disclosed |
| WO-1997025325-A1 | CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-07-17 | — | — | WO | disclosed |