Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGAV | P06756 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.33 |
| ▸ | USP2 | O75604 | 2/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | RAPGEF3 | O95398 | 1/20 | 0.33 |
| ▸ | RAPGEF4 | Q8WZA2 | 1/20 | 0.33 |
| ▸ | KCNJ11 | Q14654 | 7/20 | 0.33 |
| ▸ | ABCC9 | O60706 | 5/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8134156 | 0.90 | KIF11 (0.41) | KIF11ITGB3ITGAVNPSR1CYP1A2 | |
| SCHEMBL8136535 | 0.88 | KIF11 (0.39) | KIF11ITGB3ITGAVNPSR1CYP1A2 | |
| SCHEMBL7756407 | 0.87 | HTR3E (0.48) | KIF11NPSR1CYP1A2CYP2C19USP2 | |
| SCHEMBL7756403 | 0.87 | HTR3E (0.48) | KIF11NPSR1CYP1A2CYP2C19USP2 | |
| SCHEMBL8134082 | 0.80 | KIF11 (0.38) | KIF11ITGB3ITGAVHRH4MAPT | |
| SCHEMBL8134104 | 0.78 | KIF11 (0.40) | KIF11ITGB3ITGAVHRH4CYP1A2 | |
| SCHEMBL8129123 | 0.78 | KIF11 (0.40) | KIF11ITGB3ITGAVCYP1A2CYP2C19 | |
| SCHEMBL8142839 | 0.78 | ALDH1A1 (0.40) | ITGB3ITGAVNPSR1HRH4CYP1A2 | |
| SCHEMBL5803661 | 0.77 | KIF11 (0.39) | KIF11ITGB3ITGAVNPSR1MAPT | |
| SCHEMBL8140971 | 0.76 | ALDH1A1 (0.47) | KIF11NPSR1CYP1A2CYP2C19MAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6147098-A | USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM | NOVO NORDISK A/S (DK) | 2000-11-14 | — | — | US | claimed |
| US-6147098-A | USEFUL IN THE TREATMENT OF DISEASES OF THE CENTRAL NERVOUS SYSTEM, CARDIOVASCULAR SYSTEM, PULMONARY SYSTEM, GASTROINTESTINAL SYSTEM AND ENDOCRINOLOGIC SYSTEM | NOVO NORDISK A/S (DK) | 2000-11-14 | — | — | US | disclosed |