Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.64 |
| ▸ | BLM | P54132 | 1/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | USP2 | O75604 | 1/20 | 0.62 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
| ▸ | LTA4H | P09960 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL5368435 | 0.96 | CYP1A2 (0.65) | ALDH1A1BLMKCNH2KDM4EGAA | |
| SCHEMBL5367392 | 0.91 | HTR2A (0.71) | ALDH1A1GAASIGMAR1HTR2ALTA4H | |
| SCHEMBL1221629 | 0.88 | ALDH1A1 (0.67) | ALDH1A1BLMKCNH2KDM4EGAA | |
| SCHEMBL23366658 | 0.85 | KCNH2 (0.68) | ALDH1A1BLMKCNH2KDM4EGAA | |
| Lithium Ion SCHEMBL22470296 | 0.84 | ALDH1A1 (0.63) | ALDH1A1BLMKCNH2KDM4EGAA | |
| SCHEMBL22470259 | 0.83 | ALDH1A1 (0.62) | ALDH1A1BLMKCNH2KDM4EGAA | |
| Hydrochloric Acid SCHEMBL9650868 | 0.83 | HTR2A (0.82) | ALDH1A1BLMKCNH2KDM4EGAA | |
| SCHEMBL2183713 | 0.82 | LTA4H (0.64) | ALDH1A1GAASIGMAR1HTR2ALTA4H | |
| SCHEMBL11252400 | 0.82 | MEN1 (0.58) | KCNH2KDM4EHTR2ALTA4HCYP1A2 | |
| SCHEMBL22470271 | 0.82 | KCNH2 (0.64) | ALDH1A1BLMKCNH2KDM4EGAA |
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-7259157-B2 | N-substituted nonaryl-heterocyclo amidyl NMDA/NR2B Antagonists | MERCK & CO., INC. (US) | 2007-08-21 | — | — | US | disclosed |