Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | ERN1 | O75460 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 7/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | P2RY14 | Q15391 | 1/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL91827 | 0.85 | LMNA (0.34) | KIF11MAPTCYP1A2CYP2C19TDP1 | |
| SCHEMBL91831 | 0.85 | MAPT (0.36) | KIF11MAPTCYP1A2CYP2C19TDP1 | |
| SCHEMBL91750 | 0.81 | KMT2A (0.39) | MAPTCYP1A2TDP1POLBESR1 | |
| SCHEMBL91709 | 0.80 | LMNA (0.38) | MAPTCYP1A2CYP2C19TDP1RXRA | |
| SCHEMBL91839 | 0.78 | FFAR4 (0.33) | ERN1ESR1ESR2SCN10A | |
| SCHEMBL91733 | 0.77 | ESR1 (0.37) | ERN1MAPTCYP1A2CYP2C19ESR1 | |
| SCHEMBL91736 | 0.75 | MAPT (0.39) | ERN1MAPTCYP1A2CYP2C19TDP1 | |
| SCHEMBL91717 | 0.75 | ERN1 (0.43) | ERN1MAPTCYP1A2CYP2C19TDP1 | |
| SCHEMBL91705 | 0.74 | MAPT (0.41) | ERN1MAPTCYP1A2CYP2C19TDP1 | |
| SCHEMBL91877 | 0.70 | PTGDR2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8129002-B2 | Compounds for use in liquid crystal media | MERCK PATENT GMBH (DE) | 2012-03-06 | — | — | US | disclosed |