Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | CTSK | P43235 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 3/20 | 0.36 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9512811 | 0.86 | NPC1 (0.39) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL9506512 | 0.86 | RAB9A (0.40) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL17244817 | 0.82 | HSD17B10 (0.36) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL9330274 | 0.81 | RAB9A (0.46) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL17244818 | 0.81 | ALDH1A1 (0.33) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL28372859 | 0.79 | CTSS (0.38) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL23190432 | 0.79 | MAPT (0.48) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL9511175 | 0.79 | RARB (0.41) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 | |
| SCHEMBL9506653 | 0.79 | RAB9A (0.45) | RAB9ASMN1; SMN2HSD17B10NPC1MAPT | |
| SCHEMBL7907395 | 0.78 | RAB9A (0.57) | RAB9ASMN1; SMN2HSD17B10NPC1TP53 |
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 3 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 |
| WO-1991003468-A1 | DIFLUOROBENZONITRILES AND LIQUID-CRYSTAL MEDIUM | MERCK Patent Gesellschaft mit beschränkter Haftung (DE) | 1991-03-21 | — | — | WO | disclosed |