Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 7/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.30 |
| ▸ | POLB | P06746 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL91736 | 0.85 | MAPT (0.39) | MAPTCYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL91705 | 0.82 | MAPT (0.41) | MAPTCYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL91831 | 0.79 | MAPT (0.36) | MAPTCYP1A2CYP2C19THRBTDP1 | |
| SCHEMBL91760 | 0.77 | KMT2A (0.34) | MAPTCYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL91714 | 0.77 | ESR1 (0.33) | — | |
| SCHEMBL91719 | 0.76 | CYP1A2 (0.33) | MAPTCYP1A2CYP2C19ALDH1A1MEN1 | |
| SCHEMBL91743 | 0.75 | FFAR4 (0.31) | — | |
| SCHEMBL91717 | 0.75 | ERN1 (0.43) | MAPTCYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL91716 | 0.75 | MAPT (0.34) | MAPTCYP1A2CYP2C19THRBALDH1A1 | |
| SCHEMBL14075289 | 0.74 | ESR1 (0.36) | ALDH1A1 |
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 |