Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | ESR1 | P03372 | 7/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.36 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | ELANE | P08246 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL14087818 | 0.82 | NQO1 (0.61) | NQO1ESR1ESR2CNR2SIRT1 | |
| SCHEMBL14087817 | 0.82 | NQO1 (0.61) | NQO1ESR1ESR2CNR2SIRT1 | |
| SCHEMBL29319781 | 0.79 | ABL1 (0.44) | NQO1ESR1ESR2HDAC6ALDH1A1 | |
| SCHEMBL83469 | 0.78 | NQO1 (0.56) | NQO1ESR1ESR2CNR2SIRT1 | |
| SCHEMBL881046 | 0.78 | ALDH1A1 (0.45) | ESR1ESR2HDAC6ALDH1A1MEN1 | |
| SCHEMBL14087816 | 0.77 | NQO1 (0.54) | NQO1ESR1ESR2CYP3A4CYP2D6 | |
| SCHEMBL14087814 | 0.77 | ACHE (0.43) | NQO1ESR1ESR2HDAC6ALDH1A1 | |
| SCHEMBL29286369 | 0.74 | NQO1 (0.70) | NQO1HDAC6ALDH1A1TDP1MEN1 | |
| SCHEMBL83963 | 0.74 | NQO1 (0.50) | NQO1ESR1ESR2CNR2 | |
| SCHEMBL278516 | 0.73 | NQO1 (1.00) | NQO1ESR1ESR2HDAC6ALDH1A1 |
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 |