Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 2/20 | 0.38 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL378037 | 0.82 | CYP2A6 (0.47) | SIRT1CYP2A6KDM4EBACE1KIF11 | |
| SCHEMBL376513 | 0.79 | CYP2A6 (0.45) | SIRT1CYP2A6KDM4EBACE1KIF11 | |
| SCHEMBL31115552 | 0.79 | CYP2A6 (0.45) | SIRT1CYP2A6KDM4EBACE1KIF11 | |
| SCHEMBL115205 | 0.79 | SMAD3 (0.57) | SIRT1PPARGKDM4EMEN1ALDH1A1 | |
| SCHEMBL30620163 | 0.79 | SMAD3 (0.57) | SIRT1PPARGKDM4EMEN1ALDH1A1 | |
| SCHEMBL5097277 | 0.78 | SIRT1 (0.74) | SIRT1PPARGKDM4EMEN1ALDH1A1 | |
| SCHEMBL28689775 | 0.78 | SIRT1 (0.49) | SIRT1PPARGKDM4EMEN1ALDH1A1 | |
| SCHEMBL3838663 | 0.78 | TSHR (0.58) | SIRT1PPARGKDM4EALDH1A1HPGD | |
| SCHEMBL28696939 | 0.78 | SIRT1 (0.53) | SIRT1CYP2A6PPARGKDM4EMEN1 | |
| SCHEMBL28038746 | 0.78 | LOXL2 (0.60) | SIRT1KDM4EMEN1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6613942-B1 | Nonpeptide; 4-hydroxy benzoic acid hydrazides | NOVO NORDISK A/S (DK) | 2003-09-02 | — | — | US | disclosed |
| EP-0994848-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2000-04-26 | — | — | EP | disclosed |
| WO-1999001423-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 1999-01-14 | — | — | WO | disclosed |