Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.41 |
| ▸ | HTR3B | O95264 | 2/20 | 0.41 |
| ▸ | HTR3A | P46098 | 2/20 | 0.41 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.41 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.41 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.40 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | HTR2C | P28335 | 8/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| Tert-Butyl Formate SCHEMBL27885957 | 0.81 | KMT2A (0.44) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27815217 | 0.78 | KDM4E (0.46) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Mk-212 SCHEMBL27809059 | 0.78 | HTR2C (0.68) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27834992 | 0.78 | KDM4E (0.41) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27809039 | 0.74 | ADRB2 (0.74) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL28255190 | 0.73 | HTR6 (0.36) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL1580371 | 0.73 | CKS1B (0.46) | ALDH1A1MEN1KMT2ACYP3A4 | |
| Tert-Butyl Formate SCHEMBL27896719 | 0.72 | CNR2 (0.44) | ALDH1A1HTR3EHTR3BHTR3AHTR3D | |
| Tert-Butyl Formate SCHEMBL27829439 | 0.71 | ADRB1 (0.43) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL27835000 | 0.70 | FFAR4 (0.35) | KMT2ACYP1A2HRH4 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102137856-A | 2, 4' -bipyridine compounds as protein kinase D inhibitors useful for the treatment of IA heart failure and cancer | NOVARTIS AG | 2011-07-27 | — | — | CN | disclosed |