Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SRD5A1 | P18405 | 1/20 | 0.31 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16956272 | 0.77 | DRD2 (0.47) | HTR2CDRD2DRD4DRD3 | |
| SCHEMBL23857836 | 0.74 | HTR2C (0.38) | HTR2CCA1CA2DRD2DRD4 | |
| SCHEMBL18031194 | 0.74 | ALDH1A1 (0.50) | HTR2CCA1CA2 | |
| SCHEMBL3244519 | 0.74 | CA1 (0.35) | CA1CA2 | |
| SCHEMBL16956269 | 0.74 | HTR2C (0.38) | HTR2CDRD2DRD4DRD3NOTUM | |
| SCHEMBL3406995 | 0.74 | CYP3A4 (0.45) | HTR2C | |
| SCHEMBL27260266 | 0.74 | CA1 (0.32) | CA1CA2 | |
| SCHEMBL18121656 | 0.74 | OPRL1 (0.38) | HTR2CCA1CA2DRD2DRD3 | |
| SCHEMBL2047618 | 0.74 | ACHE (0.42) | HTR2C | |
| SCHEMBL10034989 | 0.74 | OPRL1 (0.44) | HTR2C |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012126565-A1 | MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA, AND COMPONENTS FOR HIGH-FREQUENCY TECHNOLOGY | MERCK PATENT GMBH (DE) | 2012-09-27 | — | — | WO | disclosed |
| WO-2012126563-A1 | MESOGENIC COMPOUNDS, LIQUID CRYSTAL MEDIA AND COMPONENTS FOR HIGH FREQUENCY TECHNOLOGY | MERCK PATENT GMBH (DE) | 2012-09-27 | — | — | WO | disclosed |