Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 6/20 | 0.35 |
| ▸ | DRD2 | P14416 | 5/20 | 0.35 |
| ▸ | HTR1A | P08908 | 4/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.33 |
| ▸ | CCR8 | P51685 | 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 | |
|---|---|---|---|---|
| SCHEMBL3690604 | 0.86 | SLC2A1 (0.36) | HCRTR1HCRTR2HTR2BDRD2HTR1A | |
| SCHEMBL5652075 | 0.85 | CCR8 (0.45) | HTR2BDRD2CYP3A4KCNH2KDM4E | |
| SCHEMBL5777778 | 0.80 | SLC2A1 (0.47) | HTR2BDRD2HTR1ACYP3A4KCNH2 | |
| SCHEMBL3688489 | 0.76 | HTR1A (0.33) | HTR1AMEN1ALDH1A1KMT2AADRA1D | |
| SCHEMBL3687758 | 0.72 | CNR2 (0.33) | HTR1ACYP2C19ADRA1DADRA1AADRA1B | |
| SCHEMBL3690599 | 0.71 | KCNH2 (0.50) | CYP3A4KCNH2KDM4EMEN1ALDH1A1 | |
| SCHEMBL5778069 | 0.71 | MEN1 (0.38) | HTR2BDRD2HTR1ACYP3A4KCNH2 | |
| SCHEMBL3694994 | 0.69 | — | — | |
| SCHEMBL4275508 | 0.65 | KCNH2 (0.65) | KCNH2CCR8 | |
| SCHEMBL3697149 | 0.64 | HTR1A (0.35) | HTR2BHTR1AALDH1A1ADRA1DADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-2239260-A1 | Novel compounds with antibacterial activity | Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) | 2010-10-13 | — | — | EP | disclosed |