Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 4/20 | 0.47 |
| ▸ | RAB9A | P51151 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | DHFR | P00374 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9226257 | 0.80 | SMN1; SMN2 (0.52) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| SCHEMBL2489626 | 0.76 | RAB9A (0.49) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| SCHEMBL7982689 | 0.72 | ALDH1A1 (0.46) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| SCHEMBL7834962 | 0.71 | PDE10A (0.59) | SMN1; SMN2NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL2403951 | 0.70 | DHFR (0.48) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| Hydrochloric Acid SCHEMBL9081198 | 0.69 | DHFR (0.47) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| Bromide SCHEMBL9099637 | 0.69 | DHFR (0.47) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| SCHEMBL8373781 | 0.69 | PTGS1 (0.54) | SMN1; SMN2NPC1RAB9AMAPTDHFR | |
| SCHEMBL23320338 | 0.68 | MAPK1 (0.40) | SMN1; SMN2NPC1RAB9AMAPTMAPK1 | |
| SCHEMBL14736747 | 0.68 | NPC1 (0.57) | SMN1; SMN2NPC1RAB9AMAPTMAPK1 |
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 |