Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | NAAA | Q02083 | 2/20 | 0.31 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.31 |
| ▸ | PDE2A | O00408 | 2/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.30 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12823876 | 0.92 | CYP2C9 (0.37) | TP53OPRL1SCN9A | |
| SCHEMBL12821302 | 0.90 | CYP19A1 (0.33) | CYP19A1TP53OPRL1PDE2AHCRTR2 | |
| SCHEMBL12719719 | 0.89 | NAAA (0.34) | TP53NAAAPDE2ASCN9AHCRTR2 | |
| SCHEMBL12823069 | 0.87 | CYP19A1 (0.37) | CYP19A1TP53PDE2AHCRTR2NOTUM | |
| SCHEMBL13586224 | 0.87 | CYP19A1 (0.37) | CYP19A1TP53PDE2AHCRTR2NOTUM | |
| SCHEMBL12823236 | 0.85 | GSTO1 (0.33) | TP53NAAAPDE2A | |
| SCHEMBL12823923 | 0.85 | PDE2A (0.30) | PDE2A | |
| SCHEMBL12719265 | 0.85 | ALOX5AP (0.32) | NAAA | |
| SCHEMBL13586273 | 0.85 | TP53 (0.31) | TP53NAAA | |
| SCHEMBL12823266 | 0.84 | PRKAG1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009150966-A1 | TETRACYCLIC LIQUID CRYSTALLINE COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT | チッソ株式会社 (JP) | 2009-12-17 | — | — | WO | disclosed |