Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 7/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.45 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | RARB | P10826 | 1/20 | 0.43 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7907395 | 0.85 | RAB9A (0.57) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL6638063 | 0.84 | RAB9A (0.41) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL8037671 | 0.84 | RARB (0.49) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL8990727 | 0.84 | CYP17A1 (0.56) | RAB9ASMN1; SMN2HSD17B10MAPTCYP17A1 | |
| SCHEMBL785042 | 0.82 | RAB9A (0.51) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL10501532 | 0.82 | RAB9A (0.54) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL9329698 | 0.81 | RAB9A (0.42) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL10501596 | 0.81 | RARB (0.47) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL8069428 | 0.79 | RAB9A (0.64) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E | |
| SCHEMBL9031036 | 0.79 | RAB9A (0.64) | RAB9ASMN1; SMN2HSD17B10MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-0441933-B1 | DIFLUOROBENZONITRILES AND LIQUID-CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 1994-04-06 | — | — | EP | disclosed |
| US-5204017-A | DIFLUOROBENZONITRILES AND LIQUID-CRYSTALLINE MEDIUM | MERCK PATENT GMBH (DE) | 1993-04-20 | — | — | US | disclosed |
| EP-0441933-A1 | DIFLUOROBENZONITRILES AND LIQUID-CRYSTAL MEDIUM. | MERCK PATENT GMBH (DE) | 1991-08-21 | — | — | EP | disclosed |
| WO-1991003468-A1 | DIFLUOROBENZONITRILES AND LIQUID-CRYSTAL MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |