Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 3/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL14781259 | 0.76 | CYP2A6 (0.41) | SMN1; SMN2KDM4EALDH1A1HPGDMAPK1 | |
| SCHEMBL11020344 | 0.69 | MAPT (0.39) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL9581317 | 0.67 | ALDH1A1 (0.40) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL25302086 | 0.66 | ALDH1A1 (0.59) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL27953 | 0.66 | ALDH1A1 (0.59) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL29350007 | 0.66 | ALDH1A1 (0.59) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL18866863 | 0.66 | SLC6A3 (0.42) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| Hydrochloric Acid SCHEMBL4268575 | 0.64 | ALDH1A1 (0.56) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| Phosphine SCHEMBL6665557 | 0.64 | ALDH1A1 (0.56) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD | |
| SCHEMBL2638067 | 0.64 | ALDH1A1 (0.56) | MAPTSMN1; SMN2KDM4EALDH1A1HPGD |
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 |