Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SPHK1 | Q9NYA1 | 13/20 | 0.40 |
| ▸ | SPHK2 | Q9NRA0 | 7/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | PANK3 | Q9H999 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10645550 | 1.00 | TSHR (0.43) | TSHRHSD17B10SPHK1SPHK2MAOA | |
| SCHEMBL10817153 | 0.99 | TSHR (0.41) | TSHRHSD17B10SPHK1SPHK2MAOA | |
| SCHEMBL10648117 | 0.99 | TSHR (0.41) | TSHRHSD17B10SPHK1SPHK2MAOA | |
| SCHEMBL10646716 | 0.96 | TSHR (0.39) | TSHRHSD17B10SPHK1SPHK2MAOA | |
| SCHEMBL10646710 | 0.96 | TSHR (0.39) | TSHRHSD17B10SPHK1SPHK2MAOA | |
| SCHEMBL10651930 | 0.94 | SPHK1 (0.43) | TSHRHSD17B10SPHK1SPHK2 | |
| SCHEMBL10651934 | 0.94 | SPHK1 (0.43) | TSHRHSD17B10SPHK1SPHK2 | |
| SCHEMBL10648224 | 0.93 | SPHK1 (0.41) | TSHRHSD17B10SPHK1SPHK2 | |
| SCHEMBL10648228 | 0.93 | SPHK1 (0.41) | TSHRHSD17B10SPHK1SPHK2 | |
| SCHEMBL10646524 | 0.92 | MEN1 (0.39) | TSHRHSD17B10SPHK1MAOAMAOB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0149208-B1 | ETHANE DERIVATIVES | MERCK PATENT GmbH (DE) | 1988-05-04 | — | — | EP | disclosed |
| US-4659502-A | LIQUID CRYSTALS | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1987-04-21 | — | — | US | disclosed |
| EP-0149208-A2 | Ethane derivatives | MERCK PATENT GmbH (DE) | 1985-07-24 | — | — | EP | disclosed |