Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.56 |
| ▸ | CYP21A2 | P08686 | 2/20 | 0.56 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 2/20 | 0.40 |
| ▸ | RARA | P10276 | 1/20 | 0.40 |
| ▸ | RARG | P13631 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | LPL | P06858 | 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 | |
|---|---|---|---|---|
| SCHEMBL714257 | 0.90 | CYP17A1 (0.53) | CYP17A1CYP21A2CYP11B1MCL1MAOB | |
| SCHEMBL8990673 | 0.89 | CYP17A1 (0.53) | CYP17A1CYP21A2CYP11B1MAPTRARB | |
| SCHEMBL8990679 | 0.88 | CYP17A1 (0.56) | CYP17A1CYP21A2CYP11B1PTGS1PTGS2 | |
| SCHEMBL8614254 | 0.87 | RARB (0.54) | CYP17A1CYP21A2CYP11B1PTGS1PTGS2 | |
| SCHEMBL8990619 | 0.85 | MAOB (0.57) | CYP17A1CYP21A2CYP11B1MCL1PTGS1 | |
| SCHEMBL8990730 | 0.85 | MAOB (0.57) | CYP17A1CYP21A2CYP11B1MCL1PTGS1 | |
| SCHEMBL294824 | 0.85 | IDO1 (0.42) | CYP17A1CYP21A2CYP11B1PTGS1PTGS2 | |
| SCHEMBL8999654 | 0.85 | RARB (0.46) | CYP17A1CYP21A2CYP11B1PTGS1PTGS2 | |
| SCHEMBL9330274 | 0.84 | RAB9A (0.46) | CYP17A1CYP21A2CYP11B1PTGS1PTGS2 | |
| SCHEMBL7552100 | 0.83 | MAOB (0.59) | MCL1PTGS1PTGS2MAOBNPC1 |
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 |