Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RUNX1 | Q01196 | 2/20 | 0.52 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | NOX1 | Q9Y5S8 | 2/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | AMY1A | P0DUB6 | 3/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.45 |
| ▸ | BCHE | P06276 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.44 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | SMPD3 | Q9NY59 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL11903521 | 0.91 | RUNX1 (0.63) | RUNX1TRPV1CYP1A1CYP1A2CYP1B1 | |
| SCHEMBL11903647 | 0.84 | TRPV1 (0.62) | RUNX1TRPV1PARP1KDM4EALDH1A1 | |
| SCHEMBL7396876 | 0.81 | ALOX5 (0.62) | CYP1A1CYP1A2CYP1B1NOX1PARP1 | |
| SCHEMBL11903487 | 0.80 | CYP1A2 (0.54) | RUNX1TRPV1CYP1A2PARP1KDM4E | |
| SCHEMBL7395692 | 0.80 | AMY1A (0.62) | CYP1A1CYP1A2CYP1B1NOX1PARP1 | |
| SCHEMBL11903530 | 0.79 | PDE4A (0.59) | RUNX1TRPV1ALOX5EPHX2KDM4E | |
| SCHEMBL11903494 | 0.79 | TRPV1 (0.62) | RUNX1TRPV1ACHEKDM4EALDH1A1 | |
| SCHEMBL15456540 | 0.78 | CYP1A1 (0.69) | CYP1A1CYP1A2CYP1B1NOX1PARP1 | |
| SCHEMBL11903464 | 0.78 | TRPV1 (0.60) | RUNX1TRPV1BACE1KDM4EALDH1A1 | |
| SCHEMBL11903505 | 0.78 | RUNX1 (0.57) | RUNX1TRPV1CYP1A2AMY1AKDM4E |
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-8293780-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | U.S. DEPARTMENT OF ENERGY (US) | 2012-10-23 | — | — | US | disclosed |
| US-8242284-B1 | Anti-cancer agents based on 6-trifluoromethoxybenzimidazole derivatives and method of making | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) | 2012-08-14 | — | — | US | disclosed |