Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.53 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.53 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.53 |
| ▸ | RARB | P10826 | 8/20 | 0.50 |
| ▸ | RARA | P10276 | 2/20 | 0.48 |
| ▸ | RARG | P13631 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | MTOR | P42345 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.42 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8614254 | 0.95 | RARB (0.54) | CYP17A1CYP21A2CYP11B1RARBRARA | |
| SCHEMBL8990727 | 0.89 | CYP17A1 (0.56) | CYP17A1CYP21A2CYP11B1RARBRARA | |
| SCHEMBL8990715 | 0.86 | RARB (0.55) | RARBRARARARGTSHRHSD17B10 | |
| SCHEMBL4197444 | 0.86 | NPC1 (0.50) | CA1CA2GPR84FFAR1FFAR4 | |
| SCHEMBL2786810 | 0.85 | RARB (0.55) | CYP17A1CYP21A2CYP11B1RARBRARA | |
| SCHEMBL8990679 | 0.85 | CYP17A1 (0.56) | CYP17A1CYP21A2CYP11B1RARBRARA | |
| SCHEMBL3601077 | 0.84 | RARB (0.56) | RARBRARARARGTSHRHSD17B10 | |
| SCHEMBL28900119 | 0.84 | RARB (0.64) | RARBRARATSHRHSD17B10MEN1 | |
| SCHEMBL19400460 | 0.84 | RARB (0.57) | CYP17A1CYP21A2CYP11B1RARBRARA | |
| Ethyne SCHEMBL28900275 | 0.82 | NPC1 (0.47) | CA1CA2GPR84FFAR1FFAR4 |
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 |