Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | RARB | P10826 | 8/20 | 0.45 |
| ▸ | RARA | P10276 | 2/20 | 0.45 |
| ▸ | RARG | P13631 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MTOR | P42345 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 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 | |
|---|---|---|---|---|
| SCHEMBL8990697 | 0.91 | TSHR (0.52) | TSHRHSD17B10HRH3CYP19A1MEN1 | |
| SCHEMBL9663375 | 0.86 | RARB (0.51) | TSHRHSD17B10RARBRARARARG | |
| SCHEMBL8990742 | 0.85 | RARB (0.50) | TSHRHSD17B10RARBRARARARG | |
| SCHEMBL8380924 | 0.85 | HSD17B10 (0.93) | TSHRHSD17B10RARBRARAHRH3 | |
| SCHEMBL8376946 | 0.85 | HSD17B10 (0.93) | TSHRHSD17B10RARBRARAHRH3 | |
| SCHEMBL9399089 | 0.85 | HTR2A (0.52) | HSD17B10RARBRARARARGS1PR1 | |
| SCHEMBL9398851 | 0.85 | HTR2A (0.52) | HSD17B10RARBRARARARGS1PR1 | |
| SCHEMBL9715240 | 0.83 | HSD17B10 (0.97) | TSHRHSD17B10RARBRARAHRH3 | |
| SCHEMBL9715655 | 0.83 | HSD17B10 (0.97) | TSHRHSD17B10RARBRARAHRH3 | |
| SCHEMBL508855 | 0.83 | HSD17B10 (0.96) | TSHRHSD17B10RARBRARAHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5496499-A | Biphenylethanes and liquid-crystalline phase | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1996-03-05 | — | — | US | disclosed |
| EP-0429558-B1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK PATENT GMBH (DE) | 1994-03-30 | — | — | EP | disclosed |