Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | CDK9 | P50750 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28136994 | 0.80 | NFKB1 (0.38) | NFKB1NFKB2RELASMN1; SMN2RECQL | |
| SCHEMBL11539453 | 0.69 | NFKB1 (0.48) | NFKB1NFKB2RELASMN1; SMN2RECQL | |
| SCHEMBL2302687 | 0.65 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1MAPTHSD17B10TSHR | |
| SCHEMBL10613045 | 0.65 | IDO1 (0.31) | — | |
| SCHEMBL8701734 | 0.61 | HRH1 (0.36) | DDB1CRBNTSHRGAASLC6A2 | |
| SCHEMBL86132 | 0.60 | NFKB1 (0.36) | NFKB1NFKB2RELASMN1; SMN2RECQL | |
| SCHEMBL31590688 | 0.60 | EPHX1 (0.38) | ALDH1A1MAPTTP53EPHX1 | |
| SCHEMBL27527981 | 0.60 | ALDH1A1 (0.43) | NFKB1NFKB2RELASMN1; SMN2RECQL | |
| SCHEMBL9521795 | 0.60 | DDB1 (0.40) | NFKB1NFKB2RELASMN1; SMN2RECQL | |
| SCHEMBL11104664 | 0.59 | FASN (0.46) | TDP1SLC6A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6956055-B2 | Substituted γ-lactone compounds as NMDA-antagonists | GRUNENTHAL GMBH (DE) | 2005-10-18 | — | — | US | disclosed |