Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.32 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.32 |
| ▸ | CTRC | Q99895 | 1/20 | 0.31 |
| ▸ | FEN1 | P39748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19196278 | 0.87 | GABRA1 (0.39) | GABRA1GABRB2RIPK1CTRCFEN1 | |
| SCHEMBL6889220 | 0.84 | CTSL (0.39) | — | |
| SCHEMBL22640329 | 0.84 | METAP2 (0.35) | — | |
| SCHEMBL14634080 | 0.81 | TYR (0.44) | CTRC | |
| SCHEMBL5329344 | 0.80 | — | — | |
| SCHEMBL9723199 | 0.79 | TYR (0.44) | — | |
| SCHEMBL21634865 | 0.78 | LOXL2 (0.37) | — | |
| SCHEMBL18818950 | 0.78 | — | — | |
| SCHEMBL19085450 | 0.78 | GABRA1 (0.46) | GABRA1GABRB2RIPK1 | |
| SCHEMBL9723288 | 0.78 | TYR (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102557896-B | (Poly) fluorine substituted phenyl diacetylene (bi) phenyl derivative, and preparation method and application thereof | SHIJIAZHUANG CHENGZHI YONGHUA DISPLAY MATERIALS CO LTD | 2015-03-11 | — | — | CN | disclosed |
| CN-100406539-C | Cyclohexyl alkynes liquid crystal compounds | XIAN MODERN CHEMISTRY RES INST (CN) | 2008-07-30 | — | — | CN | disclosed |
| CN-1844310-A | Cyclohexyl alkynes liquid crystal compounds | XIAN MODERN CHEMISTRY RES INST (CN) | 2006-10-11 | — | — | CN | disclosed |
| US-5087764-A | Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile | Merck Patent Gesellschaft mit beschrankter Hafung (DE) | 1992-02-11 | — | — | US | disclosed |