Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | SCN4A | P35499 | 7/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | SCN1A | P35498 | 2/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.39 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.39 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6882581 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1CYP2D6SCN4ALMNA | |
| SCHEMBL4975113 | 1.00 | KDM4E (0.45) | KDM4EALDH1A1CYP2D6SCN4ALMNA | |
| SCHEMBL3466659 | 0.87 | KDM4E (0.49) | KDM4EALDH1A1CYP2D6HCAR3HPGD | |
| SCHEMBL3466658 | 0.87 | KDM4E (0.49) | KDM4EALDH1A1CYP2D6HCAR3HPGD | |
| SCHEMBL30776762 | 0.87 | KDM4E (0.49) | KDM4EALDH1A1CYP2D6HCAR3HPGD | |
| SCHEMBL5794071 | 0.87 | KDM4E (0.49) | KDM4EALDH1A1CYP2D6HCAR3HPGD | |
| SCHEMBL9058079 | 0.82 | KDM4E (0.42) | KDM4EALDH1A1CYP2D6LMNACYP1A2 | |
| SCHEMBL11571832 | 0.81 | NLRP3 (0.38) | ALDH1A1CYP2D6SCN4ALMNASCN1A | |
| SCHEMBL13626615 | 0.79 | KDM4E (0.48) | KDM4EALDH1A1CYP2D6HCAR3ATM | |
| SCHEMBL11227410 | 0.78 | MEN1 (0.44) | KDM4EALDH1A1CYP2D6SCN5AKCNH2 |
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-6107521-A | Process for the preparation of secondary amines | CELGRO (US) | 2000-08-22 | — | — | US | disclosed |