Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | APP | P05067 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8990660 | 1.00 | NQO1 (0.52) | NQO1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL8990705 | 0.86 | CYP2D6 (0.54) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL8990702 | 0.86 | PTPN7 (0.54) | L3MBTL1CYP1A2CYP2D6CYP2C19TDP1 | |
| SCHEMBL9662717 | 0.85 | NQO1 (0.56) | NQO1L3MBTL1TDP1MAOBTSHR | |
| SCHEMBL9664462 | 0.85 | NQO1 (0.56) | NQO1L3MBTL1TDP1MAOBTSHR | |
| SCHEMBL1547683 | 0.84 | NQO1 (0.74) | NQO1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10613369 | 0.82 | NQO1 (0.58) | NQO1L3MBTL1TDP1MAOBTSHR | |
| SCHEMBL17614864 | 0.82 | NQO1 (0.58) | NQO1L3MBTL1TDP1MAOBTSHR | |
| SCHEMBL27947692 | 0.82 | NQO1 (0.58) | NQO1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL10570997 | 0.82 | RAB9A (0.61) | NQO1L3MBTL1TDP1MAOBTSHR |
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 4 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 |
| EP-0429558-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE. | MERCK PATENT GMBH (DE) | 1991-06-05 | — | — | EP | disclosed |
| WO-1990008757-A1 | DIPHENYLYLETHANES AND LIQUID CRYSTALLINE PHASE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1990-08-09 | — | — | WO | disclosed |