Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1498098 | 0.81 | CA1 (0.39) | MEN1ALDH1A1MAPTHPGDKMT2A | |
| SCHEMBL28015151 | 0.73 | DRD3 (0.45) | ALDH1A1CYP3A4DRD3DRD2HTR2A | |
| SCHEMBL27450334 | 0.69 | CA12 (0.48) | ALDH1A1CYP3A4DRD3DRD2HTR2A | |
| SCHEMBL18767643 | 0.68 | DRD2 (0.41) | DRD3DRD2CYP19A1 | |
| SCHEMBL13856297 | 0.68 | HTR2C (0.40) | HTR2AHTR2CHTR2B | |
| SCHEMBL22112264 | 0.67 | AHR (0.39) | ALDH1A1KMT2ALMNA | |
| SCHEMBL13747423 | 0.63 | — | — | |
| SCHEMBL725883 | 0.62 | KDM4E (0.41) | KDM4EMEN1ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL18726697 | 0.62 | DRD3 (0.41) | DRD3DRD2 | |
| SCHEMBL21336594 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014090372-A1 | BIMESOGENIC COMPOUNDS AND MESOGENIC MEDIA | MERCK PATENT GMBH (DE) | 2014-06-19 | — | — | WO | disclosed |