Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.55 |
| ▸ | RARB | P10826 | 6/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.54 |
| ▸ | MAOB | P27338 | 1/20 | 0.53 |
| ▸ | GCGR | P47871 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.49 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | RARA | P10276 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10379969 | 0.96 | CTRC (0.52) | CTRCRARBKCNH2MAOBGCGR | |
| SCHEMBL8990662 | 0.94 | KCNH2 (0.62) | CTRCRARBKCNH2MAOBHRH3 | |
| SCHEMBL8379613 | 0.92 | KCNH2 (0.64) | CTRCRARBKCNH2MAOBHRH3 | |
| SCHEMBL19822670 | 0.92 | KCNH2 (0.64) | CTRCRARBKCNH2MAOBHRH3 | |
| SCHEMBL53919 | 0.91 | KCNH2 (0.61) | CTRCKCNH2HSD17B10ALDH1A1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL27614815 | 0.89 | KCNH2 (0.59) | CTRCKCNH2MAOBHSD17B10ALDH1A1 | |
| SCHEMBL28900119 | 0.89 | RARB (0.64) | RARBHRH3TSHRHSD17B10MEN1 | |
| SCHEMBL8990902 | 0.87 | MAOB (0.57) | CTRCKCNH2MAOBALDH1A1 | |
| SCHEMBL28829434 | 0.87 | RARB (0.67) | RARBHRH3TSHRHSD17B10MEN1 | |
| SCHEMBL5551587 | 0.87 | RARB (0.67) | RARBHRH3TSHRHSD17B10MEN1 |
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 |