Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 4/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | DRD4 | P21917 | 3/20 | 0.40 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 8/20 | 0.36 |
| ▸ | HRH2 | P25021 | 3/20 | 0.36 |
| ▸ | HRH1 | P35367 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | ICMT | O60725 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 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 | |
|---|---|---|---|---|
| SCHEMBL9854898 | 0.99 | TSHR (0.43) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9854840 | 0.95 | DRD3 (0.42) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL10509821 | 0.93 | DRD3 (0.40) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9855747 | 0.90 | DRD3 (0.43) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9855759 | 0.88 | DRD2 (0.40) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9856163 | 0.88 | DRD2 (0.40) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9855144 | 0.88 | KDM1A (0.39) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL9855227 | 0.87 | DRD2 (0.40) | DRD3DRD2DRD4HRH3HRH2 | |
| SCHEMBL9854892 | 0.87 | HSD17B10 (0.47) | TSHRHSD17B10DRD3DRD2DRD4 | |
| SCHEMBL10512625 | 0.87 | TSHR (0.41) | TSHRHSD17B10DRD3DRD2DRD4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5068053-A | Liquid crystals for optical apparatus | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-11-26 | — | — | US | disclosed |
| EP-0306505-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES. | MERCK PATENT GMBH (DE) | 1989-03-15 | — | — | EP | disclosed |
| WO-1988007523-A1 | ACETYLENE DERIVATIVES AS COMPONENTS OF LIQUID CRYSTAL PHASES | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1988-10-06 | — | — | WO | disclosed |