Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 2/20 | 0.47 |
| ▸ | LIPE | Q05469 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 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 | |
|---|---|---|---|---|
| SCHEMBL26604918 | 0.91 | SMN1; SMN2 (0.44) | MRGPRX4CYP2C19LMNACYP1A2PTGS1 | |
| SCHEMBL31136703 | 0.86 | MAPT (0.55) | MRGPRX4CYP2C19LMNACYP1A2PTGS1 | |
| SCHEMBL10517942 | 0.81 | KDM1A (0.49) | MRGPRX4CYP2C19LMNACYP1A2PTGS1 | |
| SCHEMBL15129422 | 0.81 | KDM1A (0.60) | MRGPRX4SLC6A2SLC6A3KDM1ALIPE | |
| SCHEMBL9562185 | 0.81 | TSHR (0.62) | CYP2C19LMNACYP1A2PTGS1SLC6A2 | |
| SCHEMBL27263139 | 0.80 | MRGPRX4 (0.64) | MRGPRX4HDAC6KDM1ALIPEMAPT | |
| Benzene SCHEMBL28823441 | 0.79 | ALDH1A1 (0.43) | MRGPRX4CYP2C19CYP1A2TDP1L3MBTL1 | |
| SCHEMBL17799617 | 0.79 | MRGPRX4 (0.46) | MRGPRX4LMNAKDM1ALIPEMAPT | |
| SCHEMBL9450618 | 0.79 | LIPE (0.51) | MRGPRX4CYP2C19LMNACYP1A2PTGS1 | |
| SCHEMBL10266023 | 0.79 | KDM1A (0.50) | MRGPRX4SLC6A2SLC6A3KDM1ALIPE |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018100019-A1 | THIOETHER-COMPOUNDS | MERCK PATENT GMBH (DE) | 2018-06-07 | — | — | WO | disclosed |
| US-5248447-A | 2,3-difluorohydroquinone derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-09-28 | — | — | US | disclosed |
| US-5232624-A | Components of tilted smectic liquid-crystalline phases | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-08-03 | — | — | US | disclosed |
| EP-0332025-B1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENES | MERCK PATENT GmbH (DE) | 1993-06-23 | — | — | EP | disclosed |
| EP-0518961-A1 | DERIVATIVES OF GLYCINAMIDE, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Aventis Pharma S.A. (FR) | 1992-12-23 | — | — | EP | disclosed |
| EP-0332007-B1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1992-11-25 | — | — | EP | disclosed |
| WO-1991013874-A1 | DERIVATIVES OF GLYCINAMIDE, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | RHONE-POULENC RORER S.A. (FR) | 1991-09-19 | — | — | WO | disclosed |
| EP-0373186-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK PATENT GmbH (DE) | 1990-06-20 | — | — | EP | disclosed |
| EP-0357739-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK PATENT GmbH (DE) | 1990-03-14 | — | — | EP | disclosed |
| WO-1989008639-A1 | CHIRAL DERIVATIVES OF 1,2-DIFLUOROBENZENE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| WO-1989008637-A1 | DERIVATIVES OF 2,3-DIFLUOROHYDROQUINONE | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1989-09-21 | — | — | WO | disclosed |
| EP-0332025-A1 | Chiral derivatives of 1,2-difluorobenzenes | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |
| EP-0332007-A1 | Derivatives of 2,3-difluorohydroquinone | MERCK PATENT GmbH (DE) | 1989-09-13 | — | — | EP | disclosed |