Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL91719 | 0.86 | CYP1A2 (0.33) | CYP1A2MAPTCYP2C19KMT2A | |
| SCHEMBL91754 | 0.83 | MAPT (0.34) | CYP1A2MAPTCYP2C19GAAKMT2A | |
| SCHEMBL14075272 | 0.80 | DHODH (0.33) | — | |
| SCHEMBL91726 | 0.80 | KMT2A (0.36) | CYP1A2MAPTCYP2C19KMT2A | |
| SCHEMBL91736 | 0.79 | MAPT (0.39) | CYP1A2MAPTCYP2C19KMT2A | |
| SCHEMBL91745 | 0.79 | KMT2A (0.37) | CYP1A2MAPTCYP2C19GAAKMT2A | |
| SCHEMBL91716 | 0.79 | MAPT (0.34) | CYP1A2MAPTCYP2C19GAAKMT2A | |
| SCHEMBL91706 | 0.75 | ERN1 (0.32) | — | |
| SCHEMBL91731 | 0.74 | — | — | |
| SCHEMBL91760 | 0.74 | KMT2A (0.34) | CYP1A2MAPTCYP2C19KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-7419706-B2 | Liquid crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 2008-09-02 | — | — | US | disclosed |