Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.61 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.46 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | CNR2 | P34972 | 2/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | LCK | P06239 | 1/20 | 0.46 |
| ▸ | SENP1 | Q9P0U3 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PTP4A3 | O75365 | 1/20 | 0.42 |
| ▸ | GMNN | O75496 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL13548330 | 0.88 | TRPA1 (0.50) | NQO1ACHEESR2ESR1CNR2 | |
| SCHEMBL5890294 | 0.82 | NQO1 (0.62) | NQO1ESR2ESR1SENP1ALDH1A1 | |
| SCHEMBL2620531 | 0.81 | NQO1 (0.68) | NQO1ACHEESR2ESR1CNR2 | |
| SCHEMBL7785632 | 0.78 | ACHE (0.43) | ACHECNR2CNR1SENP1ALDH1A1 | |
| SCHEMBL17775110 | 0.77 | ESR1 (0.55) | ACHEESR2ESR1SENP1ALDH1A1 | |
| SCHEMBL278516 | 0.76 | NQO1 (1.00) | NQO1ESR2ESR1LCKALDH1A1 | |
| SCHEMBL83468 | 0.76 | NQO1 (0.54) | NQO1ESR2ESR1SENP1TDP1 | |
| SCHEMBL10767233 | 0.76 | CNR1 (0.50) | NQO1ESR2ESR1CNR2CNR1 | |
| SCHEMBL6067993 | 0.75 | ABL1 (0.67) | NQO1ACHEESR2ESR1ALDH1A1 | |
| SCHEMBL11783049 | 0.75 | ABL1 (0.59) | ACHEESR2ESR1ALDH1A1TP53 |
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-5087548-A | POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION | JAPAN SYNTHETIC RUBBER CO., INC. (JP) | 1992-02-11 | — | — | US | disclosed |