Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.65 |
| ▸ | NPC1 | O15118 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 12/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 6/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14941911 | 0.75 | GAA (0.56) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL2169811 | 0.73 | KDM4E (0.53) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL14950267 | 0.69 | ALDH1A1 (0.50) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Carbamic Acid SCHEMBL10798445 | 0.68 | KDM4E (0.52) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL1072568 | 0.64 | KDM4E (0.45) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL20583598 | 0.64 | ALDH1A1 (0.31) | ALDH1A1KMT2A | |
| SCHEMBL7401851 | 0.62 | TSHR (0.50) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL10798452 | 0.62 | KDM4E (0.50) | KDM4ENPC1ALDH1A1LMNAGAA | |
| SCHEMBL8529689 | 0.62 | GAA (0.44) | KDM4ENPC1ALDH1A1LMNAGAA | |
| Adamantane SCHEMBL974954 | 0.61 | HSD11B1 (0.48) | LMNACYP2C19L3MBTL1CYP1A2CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013067646-A1 | PROCESS FOR THE SYNTHESIS OF BETA-AMINOCARBONYLS | UNIVERSITY OF OTTAWA (CA) | 2013-05-16 | — | — | WO | disclosed |